Micro Fluidics Module Users Guide
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Users Guide
Microfluidics Module Users Guide
19982015 COMSOL
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Part number: CM021901
C o n t e n t s
Chapter 1: Introduction
About the Microfluidics Module
14
About Microfluidics . . . . . . . . . . . . . . . . . . . . . . 14
About the Microfluidics Module . . . . . . . . . . . . . . . . . 15
The Microfluidics Module Physics Interface Guide . . . . . . . . . . 15
Coupling to Other Physics Interfaces . . . . . . . . . . . . . . . 18
The Microfluidics Module Study Capabilities by Physics Interface . . . . . 19
Common Physics Interface and Feature Settings and Nodes. . . . . . . 20
The Liquids and Gases Materials Database . . . . . . . . . . . . . 21
Where Do I Access the Documentation and Application Libraries? . . . . 21
Overview of the Users Guide
25
Chapter 2: Microfluidic Modeling
Physics and Scaling in Microfluidics
28
Dimensionless Numbers in Microfluidics
31
Dimensionless Numbers Important for Solver Stability . . . . . . . . 31
Other Dimensionless Numbers . . . . . . . . . . . . . . . . . 33
Modeling Microfluidic Fluid Flows
36
Selecting the Right Physics Interface. . . . . . . . . . . . . . . . 36
Single-Phase Flow. . . . . . . . . . . . . . . . . . . . . . . 37
Multiphase Flow . . . . . . . . . . . . . . . . . . . . . . . 38
Porous Media Flow . . . . . . . . . . . . . . . . . . . . . . 40
The Relationship Between the Physics Interfaces . . . . . . . . . . . 42
Modeling Coupled Phenomena in Microfluidics
44
Chemical Transport and Reactions . . . . . . . . . . . . . . . . 44
Electrohydrodynamics . . . . . . . . . . . . . . . . . . . . . 46
CONTENTS
|3
Heat Transfer . . . . . . . . . . . . . . . . . . . . . . . . 53
Coupling to Other Physics Interfaces . . . . . . . . . . . . . . . 54
Modeling Rarefied Gas Flows
56
The Flow Regimes . . . . . . . . . . . . . . . . . . . . . . 56
Slip Flow . . . . . . . . . . . . . . . . . . . . . . . . . . 57
References for the Theory of Microfluidics . . . . . . . . . . . . . 58
Chapter 3: Single-Phase Flow Interfaces
The Laminar Flow and Creeping Flow Interfaces
60
The Laminar Flow Interface . . . . . . . . . . . . . . . . . . . 60
The Creeping Flow Interface . . . . . . . . . . . . . . . . . . 63
Domain, Boundary, Pair, and Point Nodes for Single-Phase Flow . . . . . 65
Fluid Properties . . . . . . . . . . . . . . . . . . . . . . . 65
Volume Force . . . . . . . . . . . . . . . . . . . . . . . . 67
Initial Values. . . . . . . . . . . . . . . . . . . . . . . . . 68
Wall. . . . . . . . . . . . . . . . . . . . . . . . . . . . 68
Inlet . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70
Outlet . . . . . . . . . . . . . . . . . . . . . . . . . . . 73
Symmetry . . . . . . . . . . . . . . . . . . . . . . . . . 75
Open Boundary . . . . . . . . . . . . . . . . . . . . . . . 75
Boundary Stress . . . . . . . . . . . . . . . . . . . . . . . 76
Periodic Flow Condition . . . . . . . . . . . . . . . . . . . . 77
Pipe Connection . . . . . . . . . . . . . . . . . . . . . . . 78
Flow Continuity . . . . . . . . . . . . . . . . . . . . . . . 78
Pressure Point Constraint . . . . . . . . . . . . . . . . . . . 79
Point Mass Source . . . . . . . . . . . . . . . . . . . . . . 79
Line Mass Source . . . . . . . . . . . . . . . . . . . . . . . 80
Theory for the Single-Phase Flow Interfaces
82
General Single-Phase Flow Theory . . . . . . . . . . . . . . . . 83
Compressible Flow . . . . . . . . . . . . . . . . . . . . . . 85
The Mach Number Limit . . . . . . . . . . . . . . . . . . . . 85
Incompressible Flow . . . . . . . . . . . . . . . . . . . . . 86
The Reynolds Number. . . . . . . . . . . . . . . . . . . . . 86
4 | CONTENTS
Non-Newtonian Flow: The Power Law and the Carreau Model . . . . . 87
The Boussinesq Approximation . . . . . . . . . . . . . . . . . 89
Theory for the Wall Boundary Condition . . . . . . . . . . . . . 89
Prescribing Inlet and Outlet Conditions . . . . . . . . . . . . . . 93
Laminar Inflow . . . . . . . . . . . . . . . . . . . . . . . . 95
Laminar Outflow . . . . . . . . . . . . . . . . . . . . . . . 95
Mass Flow . . . . . . . . . . . . . . . . . . . . . . . . . 96
No Viscous Stress . . . . . . . . . . . . . . . . . . . . . . 97
Normal Stress Boundary Condition . . . . . . . . . . . . . . . . 98
Pressure Boundary Condition . . . . . . . . . . . . . . . . . . 98
Mass Sources for Fluid Flow . . . . . . . . . . . . . . . . .
100
Numerical StabilityStabilization Techniques for Fluid Flow . . . . .
102
Solvers for Laminar Flow . . . . . . . . . . . . . . . . . . .
104
Pseudo Time Stepping for Laminar Flow Models . . . . . . . . . .
106
Discontinuous Galerkin Formulation . . . . . . . . . . . . . .
108
Particle Tracing in Fluid Flow . . . . . . . . . . . . . . . . .
108
References for the Single-Phase Flow, Laminar Flow Interfaces. . . . .
109
C h a p t e r 4 : M u l t i p h a s e F l ow , Two - P h a s e F l ow
Interfaces
The Laminar Two-Phase Flow, Level Set and Laminar
Two-Phase Flow, Phase Field Interfaces
The Laminar Two-Phase Flow, Level Set Interface
112
. . . . . . . . .
112
The Laminar Two-Phase Flow, Phase Field Interface . . . . . . . . .
114
Domain, Boundary, Point, and Pair Nodes for the Laminar and
Turbulent Flow, Two-Phase, Level Set and Phase Field Interfaces. . .
115
Wall. . . . . . . . . . . . . . . . . . . . . . . . . . .
116
Fluid Properties . . . . . . . . . . . . . . . . . . . . . .
118
Gravity
. . . . . . . . . . . . . . . . . . . . . . . . .
120
Initial Values. . . . . . . . . . . . . . . . . . . . . . . .
121
Initial Interface . . . . . . . . . . . . . . . . . . . . . . .
121
The Laminar Two-Phase Flow, Moving Mesh Interface
122
Domain, Boundary, Edge, Point, and Pair Nodes for the Laminar
CONTENTS
|5
Two-Phase Flow, Moving Mesh Interface . . . . . . . . . . . .
124
Free Deformation . . . . . . . . . . . . . . . . . . . . .
126
Prescribed Mesh Displacement . . . . . . . . . . . . . . . .
126
Initial Values. . . . . . . . . . . . . . . . . . . . . . . .
127
Fixed Mesh . . . . . . . . . . . . . . . . . . . . . . . .
127
Prescribed Mesh Velocity . . . . . . . . . . . . . . . . . . .
127
Fluid-Fluid Interface . . . . . . . . . . . . . . . . . . . . .
128
External Fluid Interface . . . . . . . . . . . . . . . . . . .
129
Wall-Fluid Interface . . . . . . . . . . . . . . . . . . . . .
130
Navier Slip . . . . . . . . . . . . . . . . . . . . . . . .
130
Theory for the Level Set and Phase Field Interfaces
132
Level Set and Phase Field Equations . . . . . . . . . . . . . . .
132
Conservative and Non-Conservative Formulations . . . . . . . . .
135
Phase Initialization . . . . . . . . . . . . . . . . . . . . .
135
Numerical Stabilization
. . . . . . . . . . . . . . . . . . .
136
References for the Level Set and Phase Field Interfaces . . . . . . .
137
Theory for the Two Phase Flow Moving Mesh Interface
138
Domain Level Fluid Flow . . . . . . . . . . . . . . . . . . .
138
About the Moving Mesh . . . . . . . . . . . . . . . . . . .
139
About the Fluid Interface Boundary Conditions . . . . . . . . . .
140
Wall Fluid Interface Boundary Conditions . . . . . . . . . . . .
144
References for the Two-Phase Flow, Moving Mesh Interface. . . . . .
145
Chapter 5: Mathematics , Moving Interfaces
The Level Set Interface
Domain, Boundary, and Pair Nodes for the Level Set Interface
6 | CONTENTS
148
. . . .
149
Level Set Model . . . . . . . . . . . . . . . . . . . . . .
149
Initial Values. . . . . . . . . . . . . . . . . . . . . . . .
150
Inlet . . . . . . . . . . . . . . . . . . . . . . . . . . .
150
Initial Interface . . . . . . . . . . . . . . . . . . . . . . .
151
No Flow . . . . . . . . . . . . . . . . . . . . . . . . .
151
The Phase Field Interface
152
Domain, Boundary, and Pair Nodes for the Phase Field Interface . . . .
153
Phase Field Model . . . . . . . . . . . . . . . . . . . . .
153
Initial Values. . . . . . . . . . . . . . . . . . . . . . . .
155
Inlet . . . . . . . . . . . . . . . . . . . . . . . . . . .
155
Initial Interface . . . . . . . . . . . . . . . . . . . . . . .
155
Wetted Wall . . . . . . . . . . . . . . . . . . . . . . .
156
Theory for the Level Set Interface
157
The Level Set Method . . . . . . . . . . . . . . . . . . . .
157
Conservative and Non-Conservative Form . . . . . . . . . . . .
159
Initializing the Level Set Function . . . . . . . . . . . . . . . .
159
Variables For Geometric Properties of the Interface . . . . . . . .
160
Reference for the Level Set Interface . . . . . . . . . . . . . .
161
Theory for the Phase Field Interface
162
About the Phase Field Method. . . . . . . . . . . . . . . . .
162
The Equations for the Phase Field Method . . . . . . . . . . . .
162
Conservative and Non-Conservative Forms
. . . . . . . . . . .
164
Additional Sources of Free Energy . . . . . . . . . . . . . . .
164
Initializing the Phase Field Function . . . . . . . . . . . . . . .
165
Variables and Expressions
. . . . . . . . . . . . . . . . . .
165
Reference for the Phase Field Interface . . . . . . . . . . . . .
166
C h a p t e r 6 : Po r o u s M e d i a F l ow I n t e r f a c e s
The Darcys Law Interface
168
Domain, Boundary, Edge, Point, and Pair Nodes for the Darcys
Law Interface . . . . . . . . . . . . . . . . . . . . . .
169
Fluid and Matrix Properties . . . . . . . . . . . . . . . . . .
171
Mass Source
. . . . . . . . . . . . . . . . . . . . . . .
172
Initial Values. . . . . . . . . . . . . . . . . . . . . . . .
172
Pressure . . . . . . . . . . . . . . . . . . . . . . . .
172
Mass Flux. . . . . . . . . . . . . . . . . . . . . . . . .
173
Inlet . . . . . . . . . . . . . . . . . . . . . . . . . . .
173
Symmetry . . . . . . . . . . . . . . . . . . . . . . . .
173
CONTENTS
|7
No Flow . . . . . . . . . . . . . . . . . . . . . . . . .
174
Flux Discontinuity . . . . . . . . . . . . . . . . . . . . .
174
Outlet . . . . . . . . . . . . . . . . . . . . . . . . . .
174
The Brinkman Equations Interface
176
Domain, Boundary, Point, and Pair Nodes for the Brinkman
Equations Interface . . . . . . . . . . . . . . . . . . . .
178
Fluid and Matrix Properties . . . . . . . . . . . . . . . . . .
179
Forchheimer Drag . . . . . . . . . . . . . . . . . . . . .
179
Mass Source
. . . . . . . . . . . . . . . . . . . . . . .
180
Volume Force . . . . . . . . . . . . . . . . . . . . . . .
180
Initial Values. . . . . . . . . . . . . . . . . . . . . . . .
181
Fluid Properties . . . . . . . . . . . . . . . . . . . . . .
181
The Free and Porous Media Flow Interface
183
Domain, Boundary, Point, and Pair Nodes for the Free and Porous
Media Flow Interface . . . . . . . . . . . . . . . . . . .
185
Porous Matrix Properties. . . . . . . . . . . . . . . . . . .
186
Volume Force . . . . . . . . . . . . . . . . . . . . . . .
186
Forchheimer Drag . . . . . . . . . . . . . . . . . . . . .
187
Initial Values. . . . . . . . . . . . . . . . . . . . . . . .
187
Microfluidic Wall Conditions . . . . . . . . . . . . . . . . .
187
Theory for the Darcys Law Interface
189
Darcys LawEquation Formulation
189
. . . . . . . . . . . . . .
Theory for the Brinkman Equations Interface
About the Brinkman Equations
8 | CONTENTS
184
Fluid Properties . . . . . . . . . . . . . . . . . . . . . .
191
. . . . . . . . . . . . . . . .
191
Brinkman Equations Theory. . . . . . . . . . . . . . . . . .
192
References for the Brinkman Equations Interface . . . . . . . . . .
193
Theory for the Free and Porous Media Flow Interface
194
Reference for the Free and Porous Media Flow Interface . . . . . . .
194
Chapter 7: Rarefied Flow Interface
The Slip Flow Interface
196
Domain, Boundary, Edge, Point, and Pair Nodes for the Slip Flow
Interface. . . . . . . . . . . . . . . . . . . . . . . .
Fluid
198
. . . . . . . . . . . . . . . . . . . . . . . . . .
199
External Slip Wall. . . . . . . . . . . . . . . . . . . . . .
200
Initial Values. . . . . . . . . . . . . . . . . . . . . . . .
201
Slip Wall . . . . . . . . . . . . . . . . . . . . . . . . .
201
Periodic Condition . . . . . . . . . . . . . . . . . . . . .
202
Symmetry . . . . . . . . . . . . . . . . . . . . . . . .
202
Continuity . . . . . . . . . . . . . . . . . . . . . . . .
202
Theory for the Slip Flow Interface
203
Slip Flow Boundary Conditions . . . . . . . . . . . . . . . .
203
References for the Slip Flow Interface . . . . . . . . . . . . . .
205
C h a p t e r 8 : C h e m i c a l S p e c i e s Tr a n s p o r t I n t e r f a c e s
The Transport of Diluted Species Interface
208
The Transport of Diluted Species in Porous Media Interface . . . . .
211
Domain, Boundary, and Pair Nodes for the Transport of Diluted
Species Interface. . . . . . . . . . . . . . . . . . . . .
213
Transport Properties . . . . . . . . . . . . . . . . . . . .
214
Turbulent Mixing . . . . . . . . . . . . . . . . . . . . . .
216
Initial Values. . . . . . . . . . . . . . . . . . . . . . . .
217
Mass-Based Concentrations . . . . . . . . . . . . . . . . . .
217
Reactions. . . . . . . . . . . . . . . . . . . . . . . . .
218
No Flux . . . . . . . . . . . . . . . . . . . . . . . . .
219
Inflow . . . . . . . . . . . . . . . . . . . . . . . . . .
219
Outflow . . . . . . . . . . . . . . . . . . . . . . . . .
220
Concentration . . . . . . . . . . . . . . . . . . . . . . .
220
Flux . . . . . . . . . . . . . . . . . . . . . . . . . . .
221
Symmetry . . . . . . . . . . . . . . . . . . . . . . . .
221
Flux Discontinuity . . . . . . . . . . . . . . . . . . . . .
221
CONTENTS
|9
Periodic Condition . . . . . . . . . . . . . . . . . . . . .
222
Point Mass Source . . . . . . . . . . . . . . . . . . . . .
223
Open Boundary . . . . . . . . . . . . . . . . . . . . . .
224
Thin Diffusion Barrier . . . . . . . . . . . . . . . . . . . .
224
Thin Impermeable Barrier . . . . . . . . . . . . . . . . . .
225
Equilibrium Reaction . . . . . . . . . . . . . . . . . . . .
225
Surface Equilibrium Reaction . . . . . . . . . . . . . . . . .
226
Porous Electrode Coupling . . . . . . . . . . . . . . . . . .
226
Reaction Coefficients . . . . . . . . . . . . . . . . . . . .
227
Electrode-Electrolyte Interface Coupling . . . . . . . . . . . . .
227
Porous Media Transport Properties . . . . . . . . . . . . . . .
227
Partially Saturated Porous Media . . . . . . . . . . . . . . . .
229
Volatilization . . . . . . . . . . . . . . . . . . . . . . .
230
Reactive Pellet Bed . . . . . . . . . . . . . . . . . . . . .
231
Species Source. . . . . . . . . . . . . . . . . . . . . . .
233
Hygroscopic Swelling . . . . . . . . . . . . . . . . . . . .
233
Theory for the Transport of Diluted Species Interface
235
Mass Balance Equation . . . . . . . . . . . . . . . . . . . .
236
Equilibrium Reaction Theory . . . . . . . . . . . . . . . . .
237
Convective Term Formulation . . . . . . . . . . . . . . . . .
239
Solving a Diffusion Equation Only
239
. . . . . . . . . . . . . . .
Mass Sources for Species Transport . . . . . . . . . . . . . . .
240
Adding Transport Through Migration . . . . . . . . . . . . . .
242
Supporting Electrolytes . . . . . . . . . . . . . . . . . . .
243
Crosswind Diffusion
10 | C O N T E N T S
222
Line Mass Source . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . .
244
Danckwerts Inflow Boundary Condition . . . . . . . . . . . . .
245
Transport of Diluted Species in Porous Media . . . . . . . . . . .
245
Convection . . . . . . . . . . . . . . . . . . . . . . . .
247
Convective Term Formulation . . . . . . . . . . . . . . . . .
248
Diffusion . . . . . . . . . . . . . . . . . . . . . . . . .
249
Dispersion . . . . . . . . . . . . . . . . . . . . . . . .
250
Adsorption . . . . . . . . . . . . . . . . . . . . . . . .
251
Reactions. . . . . . . . . . . . . . . . . . . . . . . . .
252
Theory for the Reactive Pellet Bed . . . . . . . . . . . . . . .
253
References . . . . . . . . . . . . . . . . . . . . . . . .
258
Chapter 9: Glossary
Glossary of Terms
260
CONTENTS
| 11
12 | C O N T E N T S
Introduction
This guide describes the Microfluidics Module, an optional add-on package that
extends the COMSOL Multiphysics modeling environment with customized
physics interfaces for microfluidics.
This chapter introduces you to the capabilities of this module. A summary of the
physics interfaces and where you can find documentation and model examples is
also included. The last section is a brief overview with links to each chapter in this
guide.
In this chapter:
About the Microfluidics Module
Overview of the Users Guide
13
About the Microfluidics Module
In this section:
About Microfluidics
About the Microfluidics Module
The Microfluidics Module Physics Interface Guide
Coupling to Other Physics Interfaces
The Microfluidics Module Study Capabilities by Physics Interface
Common Physics Interface and Feature Settings and Nodes
The Liquids and Gases Materials Database
Where Do I Access the Documentation and Application Libraries?
About Microfluidics
The field of microfluidics evolved as engineers and scientists explored new avenues to
exploit the fabrication technologies developed by the microelectronics industry. These
technologies enabled complex micron and submicron structures to be integrated with
electronic systems and batch fabricated at low cost. Mechanical devices fabricated using
these technologies have become known as microelectromechanical systems (MEMS),
whilst fluidic devices are commonly referred to as microfluidic systems or
lab-on-a-chip devices. A proper description of these microsystems usually requires
multiple physical effects to be incorporated.
At the microscale different physical effects become important to those dominant at
macroscopic scales. Properties that scale with the volume of the system (such as inertia)
become comparatively less important than those that scale with the surface area of the
system (such as viscosity and surface tension). Fluid flow is therefore usually laminar
and chemical migration is often limited by diffusion. Electrokinetic effects become
important as the electric double layers present at interfaces in the system interact with
external applied fields. As systems are further miniaturized, the mean free path of the
fluid can become comparable to the size of the system and rarefaction effects become
important. At moderate Knudsen numbers (the Knudsen number is the ratio of the
mean free path to the system size), it is still possible to use the Navier Stokes equations
to solve the flow, however special slip boundary conditions are required.
14 |
CHAPTER 1: INTRODUCTION
Research activity in microfluidics is changing medical-diagnostic processes such as
DNA analysis, and it is spurring the development of successful commercial products.
The Microfluidics Module has a range of tools to address the specific challenges of
modeling micro- and nanoscale flows. In addition to the standard tools for modeling
fluid flow, interfaces between fluids can be modeled by the Level Set, Phase Field, and
Moving Mesh interfaces, enabling the modeling of surface tension and multiphase flow
at the microscale. For dilute species, chemical transport and reactions can be modeled.
COMSOL Multiphysics also has tools to model the transport and reactions of
concentrated species, but the Chemical Reaction Engineering Module is required for
these physics interfaces.
Tools to address the flow of fluids within porous media are also included as well as a
physics interface to model moderately rarefied gas flows (the Slip Flow interface).
About the Microfluidics Module
The Microfluidics Module is a collection of tailored physics interfaces for the
simulation of microfluidic devices. It has a range of tools to address the specific
challenges of modeling micro- and nanoscale flows. Physics interfaces that address
laminar flow, multiphase flow, flow in porous media, and moderately rarefied flow (the
Slip Flow interface) are available. Enhanced capabilities to treat chemical reactions
between dilute species are also included. In addition to the standard tools for modeling
fluid flow, interfaces between fluids can be modeled by the Level Set, Phase Field, and
Moving Mesh interfaces, making it possible to model surface tension and multiphase
flow at the microscale.
The Microfluidics Module Applications Libraries and supporting documentation
explain how to use the physics interfaces to model a range of microfluidic devices.
The Microfluidics Module Physics Interface Guide
The physics interfaces in the Microfluidics Module form a complete set of simulation
tools, which extends the functionality of the physics interfaces of the base package for
COMSOL Multiphysics. The details of the physics interfaces and study types for the
ABOUT THE MICROFLUIDICS MODULE
15
Microfluidics Module are listed in the table. The functionality of the COMSOL
Multiphysics base package is given in the COMSOL Multiphysics Reference Manual.
In the COMSOL Multiphysics Reference Manual:
Studies and Solvers
The Physics Interfaces
For a list of all the core physics interfaces included with a COMSOL
Multiphysics license, see Physics Interface Guide.
PHYSICS INTERFACE
ICON
TAG
SPACE
DIMENSION
AVAILABLE PRESET STUDY
TYPE
Chemical Species Transport
Transport of Diluted
Species1
tds
all dimensions
stationary; time dependent
Transport of Diluted
Species in Porous Media
tds
all dimensions
stationary; time dependent
Laminar Flow1
spf
3D, 2D, 2D
axisymmetric
stationary; time dependent
Creeping Flow
spf
3D, 2D, 2D
axisymmetric
stationary; time dependent
tpf
3D, 2D, 2D
axisymmetric
transient with phase
initialization
Fluid Flow
Single-Phase Flow
Multiphase Flow
Two-Phase Flow, Level Set
Laminar Two-Phase
Flow, Level Set
16 |
CHAPTER 1: INTRODUCTION
PHYSICS INTERFACE
ICON
TAG
SPACE
DIMENSION
AVAILABLE PRESET STUDY
TYPE
tpf
3D, 2D, 2D
axisymmetric
transient with phase
initialization
3D, 2D, 2D
axisymmetric
time dependent
Two-Phase Flow, Phase Field
Laminar Two-Phase
Flow, Phase Field
Two-Phase Flow, Moving Mesh
Laminar Two-Phase
Flow, Moving Mesh
tpfmm
Porous Media and Subsurface Flow
Brinkman Equations
br
3D, 2D, 2D
axisymmetric
stationary; time dependent
Darcys Law
dl
all dimensions
stationary; time dependent
Free and Porous Media
Flow
fp
3D, 2D, 2D
axisymmetric
stationary; time dependent
slpf
3D, 2D, 2D
axisymmetric
stationary; time dependent
Level Set
ls
all dimensions
transient with phase
initialization
Phase Field
pf
all dimensions
time dependent; transient
with phase initialization
Rarefied Flow
Slip Flow
Mathematics
Moving Interface
1 This physics interface is included with the core COMSOL package but has added
functionality for this module.
ABOUT THE MICROFLUIDICS MODULE
17
Coupling to Other Physics Interfaces
The Microfluidics Module connects to COMSOL Multiphysics and other add-on
modules in the COMSOL Multiphysics product line. Table 1-1 summarizes the most
important microfluidics couplings and other common devices you can model.
The Microfluidics column lists transport phenomena that are key issues in, for
example, lab-on-a-chip type devices.
This list is only the tip of the icebergan overview of the most important applications
where you can use the Microfluidics Module. In your hands, the multiphysics
combinations and applications are unlimited.
TABLE 1-1: EXAMPLES OF COUPLED PHENOMENA AND DEVICES YOU CAN MODEL USING THE MICROFLUIDICS
MODULE
MICROFLUIDICS
PHENOMENA/
COUPLING
Pressure-driven flow
Chemical Reactions in two-phase flow
Dielectrophoresis
Electroosmotic flow
Electrophoresis
Electrothermal flow
Electrowetting
Magnetophoresis
Mass transport using diffusion, migration, and convection
Slip Flow
DEVICES
Lab-on-a-chip devices
Microfluidic channels
Microreactors
Micromixers
MEMS heat exchangers
Nonmechanical pumps and valves
18 |
CHAPTER 1: INTRODUCTION
The Microfluidics Module Study Capabilities by Physics Interface
Table 1-2 lists the Preset Studies available for each physics interface specific to this
module.
When using the axisymmetric interfaces, the horizontal axis represents the
r direction and the vertical axis the z direction. The geometry must be
created in the right half-plane (that is, only for positive r).
Studies and Solvers in the COMSOL Multiphysics Reference Manual
DEPENDENT
VARIABLES
PRESET
STUDIES*
Transport of Diluted Species
tds
Transport of Diluted Species in Porous
Media
tds
slpf
u, v, w, p, T
Laminar Flow
spf
u, v, w, p
Creeping Flow
spf
u, v, w, p
tpf
u, v, w, p,
TIME DEPENDENT
NAME
STATIONARY
PHYSICS INTERFACE
TRANSIENT WITH INITIALIZATION
TABLE 1-2: MICROFLUIDICS MODULE DEPENDENT VARIABLES AND PRESET STUDY AVAILABILITY
CHEMICAL SPECIES TRANSPORT
FLUID FLOW>RAREFIED FLOW
Slip Flow
FLUID FLOW>SINGLE-PHASE FLOW
FLUID FLOW>MULTIPHASE FLOW
Laminar Two-Phase Flow, Level Set
ABOUT THE MICROFLUIDICS MODULE
19
TABLE 1-2: MICROFLUIDICS MODULE DEPENDENT VARIABLES AND PRESET STUDY AVAILABILITY
Laminar Two-Phase Flow, Phase Field
tpf
u, v, w, p, ,
Laminar Two-Phase Flow, Moving Mesh
tpfmm
u, v, w, p
PRESET
STUDIES*
TRANSIENT WITH INITIALIZATION
DEPENDENT
VARIABLES
TIME DEPENDENT
NAME
STATIONARY
PHYSICS INTERFACE
FLUID FLOW>POROUS MEDIA AND SUBSURFACE FLOW
Brinkman Equations
br
u, v, w, p
Darcys Law
dl
u, v, w, p
Free and Porous Media Flow
fp
u, v, w, p
Level Set
ls
Phase Field
pf
MATHEMATICS
* Custom studies are also available based on the physics interface.
Common Physics Interface and Feature Settings and Nodes
There are several common settings and sections available for the physics interfaces and
feature nodes. Some of these sections also have similar settings or are implemented in
the same way no matter the physics interface or feature being used. There are also some
physics feature nodes that display in COMSOL Multiphysics.
In each modules documentation, only unique or extra information is included;
standard information and procedures are centralized in the COMSOL Multiphysics
Reference Manual.
In the COMSOL Multiphysics Reference Manual see Table 2-3 for
links to common sections and Table 2-4 to common feature nodes.
You can also search for information: press F1 to open the Help
window or Ctrl+F1 to open the Documentation window.
20 |
CHAPTER 1: INTRODUCTION
The Liquids and Gases Materials Database
The Microfluidics Module includes an additional Liquids and Gases material database
with temperature-dependent fluid dynamic and thermal properties.
For detailed information about materials and the Liquids and Gases
Material Database, see Materials in the COMSOL Multiphysics Reference
Manual.
Where Do I Access the Documentation and Application Libraries?
A number of Internet resources have more information about COMSOL, including
licensing and technical information. The electronic documentation, topic-based (or
context-based) help, and the application libraries are all accessed through the
COMSOL Desktop.
If you are reading the documentation as a PDF file on your computer,
the blue links do not work to open an application or content
referenced in a different guide. However, if you are using the Help
system in COMSOL Multiphysics, these links work to open other
modules (as long as you have a license), application examples, and
documentation sets.
THE DOCUMENTATION AND ONLINE HELP
The COMSOL Multiphysics Reference Manual describes the core physics interfaces
and functionality included with the COMSOL Multiphysics license. This book also has
instructions about how to use COMSOL and how to access the electronic
Documentation and Help content.
Opening Topic-Based Help
The Help window is useful as it is connected to many of the features on the GUI. To
learn more about a node in the Model Builder, or a window on the Desktop, click to
highlight a node or window, then press F1 to open the Help window, which then
ABOUT THE MICROFLUIDICS MODULE
21
displays information about that feature (or click a node in the Model Builder followed
by the Help button (
). This is called topic-based (or context) help.
To open the Help window:
In the Model Builder, Application Builder, or Physics Builder click a node or
window and then press F1.
On any toolbar (for example, Home, Definitions, or Geometry), hover the
mouse over a button (for example, Add Physics or Build All) and then
press F1.
From the File menu, click Help (
).
In the upper-right corner of the COMSOL Desktop, click the Help (
button.
To open the Help window:
In the Model Builder or Physics Builder click a node or window and then
press F1.
On the main toolbar, click the Help (
) button.
From the main menu, select Help>Help.
Opening the Documentation Window
To open the Documentation window:
Press Ctrl+F1.
From the File menu select Help>Documentation (
).
To open the Documentation window:
Press Ctrl+F1.
On the main toolbar, click the Documentation (
From the main menu, select Help>Documentation.
22 |
CHAPTER 1: INTRODUCTION
) button.
THE APPLICATION LIBRARIES WINDOW
Each application includes documentation with the theoretical background and
step-by-step instructions to create a model application. The applications are available
in COMSOL as MPH-files that you can open for further investigation. You can use the
step-by-step instructions and the actual applications as a template for your own
modeling and applications. In most models, SI units are used to describe the relevant
properties, parameters, and dimensions in most examples, but other unit systems are
available.
Once the Application Libraries window is opened, you can search by name or browse
under a module folder name. Click to view a summary of the application and its
properties, including options to open it or a PDF document.
The Application Libraries Window in the COMSOL Multiphysics
Reference Manual.
Opening the Application Libraries Window
To open the Application Libraries window (
):
From the Home toolbar, Windows menu, click (
Libraries.
) Applications
From the File menu select Application Libraries.
To include the latest versions of model examples, from the File>Help
menu, select (
) Update COMSOL Application Library.
Select Application Libraries from the main File> or Windows> menus.
To include the latest versions of model examples, from the Help menu
select (
) Update COMSOL Application Library.
CONTACTING COMSOL BY EMAIL
For general product information, contact COMSOL at info@[Link].
To receive technical support from COMSOL for the COMSOL products, please
contact your local COMSOL representative or send your questions to
ABOUT THE MICROFLUIDICS MODULE
23
support@[Link]. An automatic notification and case number is sent to you by
email.
COMSOL WEBSITES
24 |
COMSOL website
[Link]
Contact COMSOL
[Link]/contact
Support Center
[Link]/support
Product Download
[Link]/product-download
Product Updates
[Link]/support/updates
Discussion Forum
[Link]/community
Events
[Link]/events
COMSOL Video Gallery
[Link]/video
Support Knowledge Base
[Link]/support/knowledgebase
CHAPTER 1: INTRODUCTION
Overview of the Users Guide
The Microfluidics Module Users Guide gets you started with modeling microfluidic
systems using COMSOL Multiphysics. The information in this guide is specific to this
module. Instructions how to use COMSOL in general are included with the
COMSOL Multiphysics Reference Manual.
As detailed in the section Where Do I Access the Documentation and
Application Libraries? this information can also be searched from the
COMSOL Multiphysics software Help menu.
TA B L E O F C O N T E N T S , G L O S S A R Y, A N D I N D E X
To help you navigate through this guide, see the Contents, Glossary, and Index.
MODELING IN MICROFLUIDICS
The Microfluidic Modeling chapter familiarizes you with modeling procedures useful
when working with this module. Topics include Dimensionless Numbers in
Microfluidics, Modeling Microfluidic Fluid Flows, Modeling Coupled Phenomena in
Microfluidics, and Modeling Rarefied Gas Flows.
THE FLUID FLOW BRANCH INTERFACES
There are several fluid flow interfaces available. The various types of momentum
transport that you can simulate includes laminar and creeping flow, multiphase
two-phase flow, and flow in porous media. Every section describes the applicable
physics interfaces in detail and concludes with the underlying interface theory.
Single-Phase Flow
Single-Phase Flow Interfaces chapter describes the Laminar Flow and Creeping Flow
interfaces.
Multiphase Flow Two-Phase Flow
Multiphase Flow, Two-Phase Flow Interfaces chapter describes the Laminar Flow,
Two-Phase Flow Level Set and Phase Field interfaces as well as the Laminar Flow,
Two-Phase Flow, Moving Mesh interface. Some multiphase flow is described using the
Phase Field and Level Set interfaces found under Mathematics, Moving Interfaces
branch. In this module these physics are already integrated into the relevant physics
interfaces.
O V E R V I E W O F T H E U S E R S G U I D E
25
Porous Media and Subsurface Flow
Porous Media Flow Interfaces chapter describes the Darcys Law, Brinkman
Equations, and Free and Porous Media Flow interfaces.
Rarefied Flow
Rarefied Flow Interface chapter describes the Slip Flow interface, including the
underlying theory.
T H E C H E M I C A L S P E C I E S TR A N S P O R T B R A N C H I N T E R F A C E S
The transport and conversion of material is denoted as chemical species transport.
Chemical Species Transport Interfaces chapter describes the Transport of Diluted
Species and the Transport of Diluted Species in Porous Media as well as the underlying
theory.
26 |
CHAPTER 1: INTRODUCTION
Microfluidic Modeling
This chapter gives an overview of the physics interfaces available for modeling
microfluidic flows and provides guidance on choosing the appropriate physics
interface for a specific problem.
In this chapter:
Physics and Scaling in Microfluidics
Dimensionless Numbers in Microfluidics
Modeling Microfluidic Fluid Flows
Modeling Coupled Phenomena in Microfluidics
Modeling Rarefied Gas Flows
27
Physics and Scaling in Microfluidics
Microfluidic flows occur on length scales that are orders of magnitude smaller than
macroscopic flows. Manipulation of fluids at the microscale has a number of
advantagestypically microfluidic systems are smaller, operate faster, and require less
fluid than their macroscopic equivalents. Energy inputs and outputs are also easier to
control (for example, heat generated in a chemical reaction) because the
surface-to-area volume ratio of the system is much greater than that of a macroscopic
system.
In general, as the length scale (L) of the fluid flow is reduced, properties that scale with
the surface area of the system become comparatively more important than those that
scale with the volume of the flow (see Table 2-1). This is apparent in the fluid flow
itself as the viscous forces, which are generated by shear over the isovelocity surfaces
(scaling as L2), dominate over the inertial forces (which scale volumetrically as L3).
The Reynolds number (Re), which characterizes the ratio of these two forces, is
typically low, so the flow is laminar. In many cases the creeping (Stokes) flow regime
applies ( Re 1 ). The section Single-Phase Flow describes microfluidic fluid flows in
greater detail.
When multiple phases are present surface tension effects become important relative to
gravity and inertia at small length scales. The Laplace pressure, capillary force, and
Marangoni forces all scale as 1/L. The section Multiphase Flow gives more
information on modeling flows involving several phases.
Flow through porous media can also occur on microscale geometries. Because the
permeability of a porous media scales as L2 (where L is the average pore radius) the
flow is often friction dominated when the pore size is in the micron range and Darcys
law can be used. For intermediate flows this module also provides a physics interface
to model flows where Brinkman equation is appropriate. For more information see
Porous Media Flow.
At the microscale a range of electrohydrodynamic effects can be exploited to influence
the fluid flow. The electric field strength for a given applied voltage scales as 1/L,
making it easier to apply relatively large fields to the fluid with moderate voltages. In
electroosmosis the uncompensated ions in the charged electric double layer (EDL)
present on the fluid surfaces are moved by an electric field, causing a net fluid flow.
Electrophoretic and dielectrophoretic forces on charged or polarized particles in the
fluid can be used to induce particle motion, as can diamagnetic forces in the case of
28 |
CHAPTER 2: MICROFLUIDIC MODELING
magnetophoresis. The manipulation of contact angles by the electrowetting
phenomena is also easy in microscale devices. The section Electrohydrodynamics
explains how to model these phenomena in detail.
TABLE 2-1: SCALING OF VARIOUS PHYSICAL PHENOMENA WITH LENGTH (L) AND THE CONSEQUENCES FOR
MICROFLUIDIC DEVICES
PROPERTY
Volume
LENGTH
SCALING
L3
2
Area
Inertial Forces
L3
Viscous Forces
Laplace Pressure
L1
CONSEQUENCES
Surface related properties increase in
importance relative to volumetric
properties, Surface area to volume ratios are
high.
Viscosity dominates over inertia, flow is
laminar or creeping. Absence of convection
makes mixing difficult.
Capillary Force
Surface tension effects become dominant in
two phase flows.
Permeability of Porous
media
L2
Darcys Law usually applies.
Diffusion Time Scale
L2
Diffusive mixing possible (although still much
slower than convection).
Electric Field (at constant
applied voltage)
Knudsen Number
L1
L1
Possibility of using a range of electrokinetic
effects to drive the flow.
Microscale gas flows are usually rarefied.
Laminar flows make mixing particularly difficult, so mass transport is often diffusion
limited. The diffusion time scales as L2, but even in microfluidic systems diffusion is
often a slow process. This has implications for chemical transport and hence reactions
within microfluidic systems. Chemical Transport and Reactions describes how to
model diffusion-based transport and chemical reactions in microfluidics.
As the length scale of the flow becomes comparable to intermolecular length scale
more complex kinetic effects become important. For gases the ratio of the molecular
mean free path to the flow geometry size is given by the Knudsen number (Kn).
Clearly, Kn scales as 1/L. For Kn < 0.01 fluid flow is usually well described by the
Navier-Stokes equations with no-slip boundary conditions. In the slip flow regime
(0.01 < Kn < 0.1) appropriate slip boundary conditions can be used with the
Navier-Stokes equations to describe the flow away from the boundary (see Slip Flow).
At Knudsen numbers above 0.1 a fully kinetic approach is required. Flows in this
regime can be modeled using tools from the Molecular Flow Module.
PHYSICS AND SCALING IN MICROFLUIDICS
29
The next section describes the importance of Dimensionless Numbers in Microfluidics,
which are frequently used in transport equations.
The Free Molecular Flow and Transitional Flow interfaces are available in
the Molecular Flow Module.
The Physics Interfaces and Building a COMSOL Model in the COMSOL
Multiphysics Reference Manual
30 |
CHAPTER 2: MICROFLUIDIC MODELING
Dimensionless Numbers in
M i c r o f lui di c s
Information about the dominant physics in a microfluidics problem is contained in
many of the dimensionless numbers that are used to characterize the flow. When using
the finite element method, dimensionless numbers defined on the element or cell
level can contain important information about the numerical stability of the problem
(the term cell is carried over from the finite volume method in this context). This
section includes information about the dimensionless numbers that are relevant to
microfluidic flows.
In this section:
Dimensionless Numbers Important for Solver Stability
Other Dimensionless Numbers
Dimensionless Numbers Important for Solver Stability
When solving a microfluidics problem numerically there are two critical dimensionless
numbers to consider in terms of solver stability. These numbers are:
The Reynolds number (Re)
The Peclet number (Pe)
Each of these numbers is defined in Table 2-2. Both the Reynolds number and the
Peclet number are associated with the relative importance of convective terms in the
corresponding partial differential equation. The Peclet number describes the
importance of convection in relation to diffusion (for either heat or mass transfer) and
the Reynolds number describes the importance of the convective inertia term in
relation to viscosity in the Navier-Stokes equations themselves.
Both the Reynolds number and the Peclet number can be defined on the cell or
element level. As they are defined in COMSOL Multiphysics numerical instabilities can
arise when the cell Reynolds or Peclet number is greater than one. These instabilities
are usually manifested as spurious oscillations in the solution. Taking the Peclet
DIMENSIONLESS NUMBERS IN MICROFLUIDICS
31
number as an example oscillations can occur when the cell Peclet number is greater
than one in the following circumstances:
A Dirichlet boundary condition can lead to a solution containing a steep gradient
near the boundary, forming a boundary layer. If the mesh cannot resolve the
boundary layer, this creates a local disturbance.
A space-dependent initial condition that the mesh does not resolve can cause a local
initial disturbance that propagates through the computational domain.
A small initial diffusion term close to a nonconstant source term or a nonconstant
Dirichlet boundary condition can result in a local disturbance.
In theory the grid can be refined to bring the cell Reynolds or Peclet number below
one, although this is often impractical for many problems. Several stabilization
techniques are included, which enable problems with larger cell Reynolds or Peclet
numbers to be solved. At the crudest level additional numerical diffusion can be added
to the problem to improve its stability. This is achieved by selecting Isotropic Diffusion
under Inconsistent Stabilization for any physics interface.
The stabilization options are visible when the Show button (
and Stabilization is selected.
) is clicked
This method is termed inconsistent as a solution to the problem without numerical
diffusion is not necessarily a solution to the problem with diffusion. COMSOL
Multiphysics also has consistent stabilization options. A consistent stabilization
technique reduces the numerical diffusion added to the problem as the solution
approaches the exact solution. Both streamline diffusion and crosswind diffusion are
available. Streamline diffusion adds numerical diffusion along the direction of the flow
velocity (that is, the diffusion is parallel to the streamlines). Crosswind diffusion adds
diffusion in the direction orthogonal to the velocity.
Generally it is best to use consistent stabilization where possible. If convergence
problems are still encountered, inconsistent stabilization can be used with a parametric
or time-dependent solver that slowly eliminates this term.
Stabilization and Numerical Stabilization in the COMSOL
Multiphysics Reference Manual
Other Dimensionless Numbers
32 |
CHAPTER 2: MICROFLUIDIC MODELING
TABLE 2-2: IMPORTANT DIMENSIONLESS NUMBERS RELATED TO THE STABILITY OF VARIOUS MICROFLUIDIC
PROBLEMS.
DIMENSIONLESS
NUMBER
SYMBOL
GLOBAL
DEFINITION
CELL
DEFINITION
NOTES
Reynolds
number
Re
vL
Re = ----------
c
vh
Re = ---------2
Ratio of inertial forces to
viscous forces.
Laminar flow applies:
[Link]
Re < 10
Creeping flow applies:
Re 1
Stabilization required:
c
Re > 1
Peclet number
(Heat Flow)
Pe
c p vh Ratio of heat convection to
c p vL
c
Pe = ----------------- Pe = ---------------- thermal diffusivity,
2
= ( c p ) .
[Link]
Stabilization required:
c
Pe > 1
Peclet number
(Mass
Transport)
Pe
vL
Pe = ------D
c
vh
Pe = -------2D
Ratio of concentration
convection to diffusion.
Stabilization required:
c
Pe > 1
Symbol definitions: v is the characteristic velocity or cell velocity, r is the fluid density, L is the characteristic
length scale for the problem, is the fluid viscosity, h is the element size, cp is the heat capacity at constant
pressure, is the thermal conductivity, and D is the diffusion constant. For anisotropic diffusion or conductivity an appropriate average is computed. The variables names assume the default name spf.
Other Dimensionless Numbers
A number of other dimensionless numbers are useful for describing fluid flows on the
microscale. These numbers are summarized in Table 2-3.
DIMENSIONLESS NUMBERS IN MICROFLUIDICS
33
TABLE 2-3: DIMENSIONLESS NUMBERS USEFUL FOR CHARACTERIZING MICROFLUIDIC FLOWS.
DIMENSION LESS
NUMBER
SYMBOL
Bond number/
Etvs number
Bo
Capillary
number
Ca
Dukhin number
Du
Knudsen
number
Kn
Kn = ---L
Ratio of the gas mean free path to the
characteristic length scale. Continuum flow
occurs when Kn<0.01, slip flow occurs in
the range 0.01<Kn<0.1, transitional flow
occurs in the range 0.1<Kn<10 and Free
Molecular Flow occurs when Kn>10. For
more details see Modeling Rarefied Gas
Flows.
Mach number
Ma
v
Ma = --a
Ratio of the convective speed to the speed
of sound in the medium. The Laminar Flow
interface in the Microfluidics Module can
handle compressible flows with Ma < 0.3 .
For higher Mach number flows the CFD
Module is required.
Eo
DEFINITION
NOTES
2
Bo
gL
= ------------
Eo
Ratio of surface tension forces to body
forces (usually gravity) for two-phase flow.
Density can refer to density difference
when considering buoyancy. At high Bond
numbers surface tension has a minimal
effect on the flow, ( Bo 1 ), at low Bond
numbers, surface tension dominates
( Bo < 1 ).
v
Ca = -----
Ratio of viscous forces to surface tension
for two phase flow. At low capillary
5
numbers ( Ca < 10 ) flow in porous
media is dominated by surface tension.
K
Du = ------B
K
Ratio of the surface conductivity
contribution to the fluid bulk electrical
conductivity contribution in electrokinetic
phenomena. For low Dukhin numbers
( Du 1 ), surface conductivities can be
neglected when modeling electrokinetic
flows.
Symbol definitions: is the fluid density, g is the body force acceleration (usually the acceleration
due to gravity), L is the characteristic length scale for the problem,
is the surface tension coef
B
ficient, is the fluid viscosity, v is the characteristic velocity, K is the surface conductivity, K is
the bulk conductivity, is the mean free path, is the thermal diffusivity (=/(cp)), cp is the
heat capacity at constant pressure, is the thermal conductivity, and T is the absolute temperature
(T is the characteristic temperature difference).
34 |
CHAPTER 2: MICROFLUIDIC MODELING
TABLE 2-3: DIMENSIONLESS NUMBERS USEFUL FOR CHARACTERIZING MICROFLUIDIC FLOWS.
DIMENSION LESS
NUMBER
SYMBOL
DEFINITION
Marangoni
number
Mg
d LT Ratio of thermal surface tension forces to
Mg = -------- ------------ viscous forces. In the low Marangoni
dT
number range ( Mg 1000 ) viscous forces
dominate over surface tension gradients.
Ohnesorge
/Laplace
/Surataman
numbers
Oh
Oh = --------------L
La
NOTES
Su
La
1
= ----------2Su
Oh
Weber number
We
v L
We = ------------
Relates the inertial and surface tension
forces to the viscous forces. Used to
describe the breakup of liquid jets and
sheets: at low Ohnesorge and Reynolds
numbers the Rayleigh instability occurs, at
high Ohnesorge and Reynolds numbers
atomization occurs.
Ratio of inertial forces to surface tension
forces. For small Weber numbers
( We 1 ) surface tension dominates the
flow.
Symbol definitions: is the fluid density, g is the body force acceleration (usually the acceleration
due to gravity), L is the characteristic length scale for the problem, is the surface tension coef
B
ficient, is the fluid viscosity, v is the characteristic velocity, K is the surface conductivity, K is
the bulk conductivity, is the mean free path, is the thermal diffusivity (=/(cp)), cp is the
heat capacity at constant pressure, is the thermal conductivity, and T is the absolute temperature
(T is the characteristic temperature difference).
DIMENSIONLESS NUMBERS IN MICROFLUIDICS
35
Modeling Microfluidic Fluid Flows
This section describes the modeling of fluid flows with the Navier Stokes or Stokes
equations (the section Modeling Rarefied Gas Flows gives details on how to model
rarefied flows). The following topics are covered:
Selecting the Right Physics Interface
Single-Phase Flow
Multiphase Flow
Porous Media Flow
The Relationship Between the Physics Interfaces
Building a COMSOL Model in the COMSOL Multiphysics Reference
Manual
Modeling Rarefied Gas Flows
Selecting the Right Physics Interface
COMSOL Multiphysics has a range of physics interfaces to solve for fluid flow in a
variety of circumstances. Often the selection of a particular physics interface implies
certain assumptions about the equations of flow. If it is known in advance which
assumptions are valid, then the appropriate physics interface can be added. However,
when the flow type is unclear from the outset, or if it is difficult to reach a solution
easily, starting with a simplified model and adding complexity subsequently is often a
good approach. Using this approach the results of a simulation are tested against the
underlying assumptions and against experimental results and the simulation can then
be refined if necessary. For complex models it is often beneficial to take this approach
even when the fluid flow is well characterized from the outset because a model with
simplifying assumptions can be easier to solve initially. The solution process can then
be fine-tuned for the more complex problem. Typically The Laminar Flow Interface is
a good starting point for many problems.
The following sections describe the options available for simulating Single-Phase Flow,
Multiphase Flow, and Porous Media Flow.
36 |
CHAPTER 2: MICROFLUIDIC MODELING
Single-Phase Flow
The Fluid Flow>Single-Phase Flow branch (
) when adding a physics interface includes
the Laminar and Creeping Flow interfaces.
The Laminar Flow Interface (
) is used primarily to model slow-moving flow in
environments without sudden changes in geometry, material distribution, or
temperature. The Navier-Stokes equations are solved without a turbulence model.
laminar flow typically occurs at Reynolds numbers less than 1000. By default the flow
is compressible (see Figure 2-1).
The Creeping Flow Interface (
) uses the same equations as the Laminar Flow
interface with the additional assumption that the contribution of the inertia term is
negligible. This is often referred to as Stokes flow and is appropriate for use when
viscous flow is dominant, which is often the case in microfluidics applications.
Creeping flow applies when the Reynolds number is much less than one. A creeping
flow problem is significantly simpler to solve than a laminar flow problem so it is best
to make this assumption explicitly if it applies. By default the flow is compressible (see
below).
By selecting the Neglect Inertial Form (Stokes Flow) check-box, on the
Settings window for Laminar Flow quickly convert a Laminar Flow
interface into a Creeping Flow interface.
For both physics interfaces several additional options are available.
SHALLOW CHANNEL APPROXIMATION
Often you might want to simplify long, narrow channels by modeling them in 2D. The
Use Shallow Channel Approximation option is useful as it includes a drag term to
approximate the added affects given by thinness of the gap between one set of
boundaries in comparison to the others.
COMPRESSIBLE FLOW
Compressible flow (for speeds of less than Mach 0.3) is the default option for both
physics interfaces. For compressible flow it is important that the density and any mass
balances are well defined throughout the domain. Choosing to model incompressible
flow simplifies the equations to be solved and decreases solution times. Most gas flows
should be modeled as compressible flows; however, liquid flows can usually be treated
as incompressible.
MODELING MICROFLUIDIC FLUID FLOWS
37
NON-NEWTONIAN FLOW
The physics interfaces also allow for easy definition of non-Newtonian fluid flow
through access to the dynamic viscosity in the Navier-Stokes [Link] fluid can
be modeled using the power law and Carreau models or by means of any expression
that describes the dynamic viscosity appropriately.
Both physics interfaces also include a feature to compute a laminar velocity profile at
arbitrarily shaped inlets and outlets, which makes models much easier to set up.
Figure 2-1: The Settings window for Laminar Flow. Model compressible or
non-compressible flow, or laminar and Stokes flow. Combinations are also possible.
Multiphase Flow
The Multiphase Flow branch (
) enables the modeling of multiphase flows. These
physics interfaces are included:
The Laminar Two-Phase Flow, Level Set Interface (
Two-Phase Flow, Level Set branch (
)).
38 |
CHAPTER 2: MICROFLUIDIC MODELING
) (available under the
The Laminar Two-Phase Flow, Phase Field Interface (
Two-Phase Flow, Phase Field branch (
)).
The Laminar Two-Phase Flow, Moving Mesh Interface (
Two-Phase Flow, Moving Mesh branch (
)).
) (available under the
) (available under the
The Two-Phase Flow interfaces add surface tension forces (including the Marangoni
effect) automatically at the two fluid interface(s). A library of surface tension
coefficients between some common substances is available.
For problems involving topological changes (for example, jet breakup), use either the
Level Set or Phase Field interfaces. These techniques use an auxiliary function (the
level set and phase field functions, respectively) to track the location of the interface,
which is necessarily diffuse. The Level Set interface usually produces a more accurate
representation of surface tension forces, and is recommended for use in smaller scale
problems with lower velocities, where the surface tension is dominant. The phase field
method is physically motivated and is usually more numerically stable than the level set
method. It is can also be extended to more phases and is compatible with
fluid-structure interactions (requires the MEMS or the Structural Mechanics Module).
Switch between the Two-Phase Flow, Level Set interface and the Two-Phase
Flow, Phase Field interface by selecting one or other from a list available in
both interfaces. This is useful if you are not sure which provides the best
solution.
The moving mesh method represents the interface as a boundary condition along a
line or surface in the geometry. Because the physical thickness of phase boundaries is
usually very small, for most practical meshes The Laminar Two-Phase Flow, Moving
Mesh Interface describes the two-phase boundary the most accurately. However, it
cannot accommodate topological changes in the boundary.
For all the Two-Phase Flow interfaces, compressible flow is possible to model at speeds
of less than 0.3 Mach. You can also choose to model incompressible flow by simplifying
the equations to be solved. Stokes law is also an option.
In each physics interface, the density and viscosity are specified for both fluids. You can
easily use non-Newtonian models for any of the two fluids, based on the power law,
the Carreau model, or using an arbitrary user-defined expression.
It is often advantageous to use more than one of these techniques to solve a problem
for example, a level set model for jet breakup could be checked prior to breakup by a
MODELING MICROFLUIDIC FLUID FLOWS
39
moving mesh model to ensure that the surface tension is captured accurately by the
diffuse interface.
) when adding an
Under the Mathematics>Moving Interface branch (
interface, The Level Set Interface (
) and The Phase Field
Interface (
) are available in a form uncoupled with the equations of
flow. These interfaces can be used to model phenomena in which other
factors dominate over the fluid flow, such as some forms of phase
separation.
Similarly, under the Mathematics>Moving Mesh branch ( ), Moving
Mesh Interface ( ) is available (and described in the COMSOL
Multiphysics Reference Manual) to treat a range of other problems
involving moving meshes, such as the transport of solid particles in a fluid
domain.
Porous Media Flow
The Porous Media and Subsurface Flow branch (
) has the physics interfaces to model
flow in porous media. The flow can be modeled by Darcys Law or the Brinkman
Equations interfaces. Additionally the Brinkman equations can be combined with
laminar flow in the Free and Porous Media Flow interface.
D A RC Y S L AW
The Darcys Law Interface (
) is used to model fluid movement through interstices
in a porous medium in the case where the fluid viscosity dominates over its inertia.
Together with the continuity equation and the equation of state for the pore fluid (or
gas) Darcys law is used to model low velocity flows, for which the pressure gradient is
the dominant driving force (typically when the Reynolds number of the flow is less
than one). The penetration of reacting gases in a tight catalytic layer, such as a washcoat
or membrane, is an example in which Darcys law applies. Often Darcys law is
applicable for microfluidic applications, as it is appropriate for the limit of small pore
size.
BRINKMAN EQUATIONS
The Brinkman Equations Interface (
) is used in situations where the fluid inertia,
or other effects such as body forces, can no longer be neglected. Fluid penetration of
filters and packed beds are applications for this physics interface. The Brinkman
40 |
CHAPTER 2: MICROFLUIDIC MODELING
equations are similar in form to the Navier Stokes equations. Figure 2-2 shows the
Settings window for the Brinkman Equations interface.
For low Reynolds number flows in which other terms in the Brinkman equations are
necessary the Neglect Inertial Term (Stokes-Brinkman Flow) feature can be selected
to neglect the inertial term in the equations (this is selected by default). The flow is
treated as incompressible by default, but compressible flow can be enabled by selecting
Compressible Flow (Ma<0.3). When using the compressible flow feature the fluid density
must be defined as a function of the local pressure.
Figure 2-2: The Settings window for Brinkman Equations. Model compressible or
non-compressible flow and Stokes flow. Combinations are also possible.
FREE A N D PO ROUS MEDIA
The Free and Porous Media Flow Interface (
) has predefined couplings between
the Brinkman Equations interface and the Laminar Flow interface. Porous regions of
the models are included by adding a Porous Matrix Properties node with the
appropriate selections to the model. The default Fluid Properties node can then be
used to define regions of free laminar flow. This physics interface has all the options
from both The Laminar Flow Interface and The Brinkman Equations Interface. An
example application area for this physics interface would be a catalytic converter.
MODELING MICROFLUIDIC FLUID FLOWS
41
It should be noted that if the porous medium is large in comparison to the free
channel, and the results in the region of the interface are not of interest, then it is
possible to manually couple a Fluid Flow interface to the Darcys Law interface. This
makes the model computationally cheaper.
The Relationship Between the Physics Interfaces
Several of the physics interfaces vary only by one or two default settings (see Table 2-4,
Table 2-5) in the Physical Model section, which are selected either from a check box or
list. For the Single-Phase Flow branch, the Laminar Flow and Creeping Flow interfaces
have the same Name (spf), and this is the same for two of the Two-Phase Flow
interfaces. In the Porous Media Flow branch the Free and Porous Media Flow
interface combines a Laminar Flow interface with a Brinkman Equations interface (see
Table 2-6).
TABLE 2-4: THE SINGLE-PHASE FLOW PHYSICAL MODEL DEFAULT SETTINGS
PHYSICS INTERFACE
LABEL
NAME
COMPRESSIBILITY
NEGLECT INERTIAL TERM
(STOKES FLOW)
Laminar Flow
spf
Compressible
flow (Ma<0.3)
None
Creeping Flow
spf
Compressible
flow (Ma<0.3)
Stokes Flow
TABLE 2-5: TWO-PHASE FLOW PHYSICAL MODEL DEFAULT SETTINGS
42 |
PHYSICS INTERFACE
LABEL
NAME
MULTIPHASE
FLOW MODEL
COMPRESSIBILITY
NEGLECT
INERTIAL TERM
(STOKES FLOW)
Laminar, Two-Phase
Flow, Level Set
tpf
Two phase flow,
level set
Incompressible
flow
None
Laminar, Two-Phase
Flow, Phase Field
tpf
Two phase flow,
phase field
Incompressible
flow
None
Laminar, Two-Phase
Flow, Moving Mesh
tpfmm
not applicable
Compressible
flow (Ma<0.3)
None
CHAPTER 2: MICROFLUIDIC MODELING
TABLE 2-6: THE POROUS MEDIA FLOW DEFAULT SETTINGS
PHYSICS
INTERFACE LABEL
NAME
COMPRESSIBILITY
NEGLECT INERTIAL
TERM
PORE SIZE
Darcy's Law
dl
n/a
n/a
Low porosity and
low permeability,
slow flow
Brinkman
Equations
br
Incompressible
flow
Yes Stokes-Brinkman
High permeability
and porosity, faster
flow
Free and Porous
Media Flow
fp
Incompressible
flow
Not selected
High permeability
and porosity, fast
flow
MODELING MICROFLUIDIC FLUID FLOWS
43
Modeling Coupled Phenomena in
Microfluidics
In this section:
Chemical Transport and Reactions
Electrohydrodynamics
Heat Transfer
Coupling to Other Physics Interfaces
See The AC/DC Interfaces in the COMSOL Multiphysics Reference
Manual for details, including theory, about The Electrostatics Interface
and The Magnetic Fields Interface, which are included with the basic
COMSOL Multiphysics license and discussed in this section.
Chemical Transport and Reactions
In the Microfluidics Module, The Transport of Diluted Species Interface ( ) and
The Transport of Diluted Species in Porous Media Interface ( ) are available for
modeling the transport of chemical species and ions. The assumption in these physics
interfaces is that one component, a solvent, is present in excess (typically more than 90
mol%). This means that the mixture properties, such as density and viscosity, are
independent of concentration. To model concentrated species, the Chemical Reaction
Engineering Module is recommended in addition to the Microfluidics Module.
By default the Transport of Diluted Species interface accounts for the diffusion of
species by Ficks Law and convection due to bulk fluid flow (see Figure 2-3). The fluid
velocity field can be coupled from another physics interface (for example, Laminar
Flow) by means of a domain level model input. The migration of ionic species in an
electric field can also be added by selecting the appropriate check box in the Settings
window for the physics interfacein this case an additional Electrostatics interface is
usually coupled into the problem by an additional model input.
Chemical reactions can be added to the physics interface at the domain level by the
Reactions node, which requires the Chemical Reaction Engineering Module. This
allows you to specify expressions for the consumption or production of species in terms
44 |
CHAPTER 2: MICROFLUIDIC MODELING
of their concentration, the concentration of other species and other model parameters,
such as the temperature.
Figure 2-3: The Settings window for Transport of Diluted Species, with Convection selected
as the Transport Mechanism by default.
S T A B I L I Z A T I O N S E T T I N G S F O R D I L U T E D S P E C I E S TR A N S P O R T
For some laminar flow problems it can be useful to change the settings for the dilute
) and select
species transport stabilization. To do this, click the Show button (
Stabilization. A Consistent stabilization section is now visible in the Transport of Diluted
species settings, and in some cases it can be desirable to change the settings for the
crosswind diffusion. By default the Crosswind diffusion type is set to Do Carmo and
Galeo. This type of crosswind diffusion reduces undershoot and overshoot to a
minimum but can in rare cases give equations systems that are difficult to fully
converge. The alternative option, Codina is less diffusive and so should be used if the
species transport is highly convective, or if convergence problems occur. This option
can result in more undershoot and overshoot and is also less effective for anisotropic
meshes. The Codina option activates a text field for the Lower gradient limit glim
MODELING COUPLED PHENOMENA IN MICROFLUIDICS
45
(SI unit: mol/m4). It defaults to 0.1[mol/m^3)/[Link], where [Link] is the
local element size.
For both consistent stabilization methods, the Equation residual can also be changed.
Approximate residual is the default setting and it means that derivatives of the diffusion
tensor components are neglected. This setting is usually accurate enough and is faster
to compute. If required, select Full residual instead.
Electrohydrodynamics
Electrohydrodynamics is a general term describing phenomena that involve the
interaction between solid surfaces, ionic solutions, and applied electric and magnetic
fields. Electrohydrodynamics is frequently employed in microfluidic devices to
manipulate fluids and move particles for sample handling and chemical separation.
Electrokinetics refers to a range of fluid flow phenomena involving electric fields.
These include electroosmosis, electrothermal effects, electrophoresis and
dielectrophoresis. Electrosmosis describes the motion of fluids induced by the forces
on the charged EDLs at the surfaces of the fluid. Electrothermal effects occur in a
conductive fluid where the temperature is modified by Joule heating from an AC
electric field. This creates variations in conductivity and permittivity and thus Coulomb
and dielectric body forces. Electrophoresis and dielectrophoresis describe the motion of
charged and polarized particles in a non-uniform AC or DC applied field.
Magnetohydrodynamics refers to fluid flow phenomena involving magnetic fields.
Magnetophoresis is the motion of diamagnetic particles in a nonuniform magnetic field
and is commonly used for magnetic bead separation.
Table 2-7 summarizes these categories. Although these examples describe specific
multiphysics couplings, COMSOL Multiphysics is not limited to these casesfor
example, it is possible to include both magnetic and electric fields to simulate
electromagnetophoresis.
TABLE 2-7: ELECTROHYDRODYNAMIC PHENOMENA
TYPE OF FIELD/FORCE
DC
AC
ELECTRIC FIELD (ELECTROKINETICS)
46 |
Surface force on fluid
Electroosmosis
AC electroosmosis
Force on suspended particles
Electrophoresis /
Dielectrophoresis
AC Electrophoresis
/AC
Dielectrophoresis
Body force on fluid
Electrothermal
CHAPTER 2: MICROFLUIDIC MODELING
TABLE 2-7: ELECTROHYDRODYNAMIC PHENOMENA
TYPE OF FIELD/FORCE
DC
AC
Magnetophoresis
Magnetic Field
Force on suspended particles
See The AC/DC Interfaces in the COMSOL Multiphysics Reference
Manual for details, including theory, about The Electrostatics Interface
and The Magnetic Fields Interface, which are included with the basic
COMSOL license and discussed in this section.
ELECTROOSMOSIS
When a polar liquid (such as water) and a solid surface (such as glass or a
polymer-based substrate) come into contact, charge transfer occurs between the
surface and the electrolytic solution. At finite temperature the charges on the surface
are not screened perfectly by the ions in the liquid and a finite thickness electric double
layer (EDL) or Debye layer develops. Electroosmosis is the process by which motion
is induced in a liquid due to the body force acting on the EDL in an electric field.
A complete model of the system includes the space charge layer explicitly. The electric
potential is the solution of a nonlinear partial differential equation, the
Poisson-Boltzmann equation, which can be solved by coupling an Electrostatics
interface to a Transport of Diluted Species interface (with migration enabled) for the
ion species. The software then computes the forces on the fluid and a further coupled
Laminar Flow or Creeping Flow interface is used to compute the overall fluid flow. In
practice this approach is only possible for nanoscale channelsas typically the EDL
thickness is 1-10 nm.
The Poisson Boltzmann equation is sometimes linearizedthis is referred to as the
Debye-Hckel approximation which applies when ze k B T , where is the potential
at the surface of the moving volume of fluid (the zeta potential). At room temperature
this corresponds to the limit 26 mV. Note that there is a layer of immobile ions
trapped adjacent to the surface (the Stern Layer which is of order one hydrated ion
radius thick) with an associated volume of immobile fluid; this means that is not
simply the wall potential. is usually determined experimentally from electroosmotic
flow measurements.
The Poisson-Boltzmann equation has a characteristic length scalethe Debye length,
D:
MODELING COUPLED PHENOMENA IN MICROFLUIDICS
47
D =
k B T
-------------------2 2
2z e c
where kB is Boltzmanns constant, T is the temperature, z is the ions valance number,
e is the electron charge, and c is the ions molar concentration in the bulk solution.
When the Debye length is small compared to the channel thickness, the electroosmotic
flow velocity can be modeled by the Helmholtz-Smoluchowski equation:
u eo = ----- E
where E is the applied electric field and is the liquids dynamic viscosity. From this
equation, the electroosmotic mobility is naturally defined as:
eo = ----
(2-1)
The Laminar Flow and Creeping Flow interfaces include a wall boundary condition
option for an Electroosmotic Velocity boundary condition. This enables you to specify
the external electric field (which can be manually specified or coupled from an
Electrostatics interface) and the electroosmotic mobility to define an electroosmotic
flow.
Further details of the theory of electroosmosis can be found in Ref. 1 and Ref. 2.
AC ELECTROOSMOSIS
Because an alternating electric field does not generate a net force on the EDL, AC
electroosmosis is not used for fluid transport in microfluidics. However, the
back-and-forth movements an AC field generates are useful for mixing purposes. To
model AC electroosmotic flow when the frequency of the electric field is sufficiently
low, the same approaches can be taken as for DC electroosmosis. An Electrostatics
interface should still be employed to calculate the electric field, but when this is
coupled into other physics interfaces the AC dependence should be explicitly added
using an expression. With increasing frequency, AC electroosmosis becomes less
important so this approach is valid for most practical examples.
Electro-osmotic Micromixer: Application Library path
Microfluidics_Module/Micromixers/electroosmotic_mixer
48 |
CHAPTER 2: MICROFLUIDIC MODELING
ELECTROPHORESIS
Electrophoresis describes the motion of charged particles or molecules suspended in a
liquid due to an applied electric field.
In COMSOL Multiphysics it is easy to calculate the electrophoretic velocity for
spherical particles for the cases when the Debye length is much smaller or much larger
than the particle size. If the surface conductivity of the particle can be neglected (this
is sometimes referred to as the limit or small Dukhin number) the electrophoretic
velocity (the particle velocity relative to the bulk flow) is given by:
2
a
u ep = --- eo f ------- E
3
D
where a is the radius of the particle, E is the electric field, and f(a/D) is known as
Henrys function (note that f(a/D) is often written as f(a) where =1/D). Henrys
function takes the value of 1 in the limiting case where a D (often known as the
Hckel approximation) and 3/2 in the case where a D (this is equivalent to
Equation 2-1 and is referred to as the Smoluchowski approximation). Note that if D
is large compared to the fluid volume, the charge is effectively unscreened and the
electric force is simply that due to the charge on the molecule. The following result is
obtained from the force balance between the Stokes drag and the electric force for an
unscreened charged particle:
q
u ep = -------------- E
6a
where q is the charge on the molecule and is the fluid viscosity. Further details of the
theory of electroosmosis can be found in Ref. 2.
These velocity fields can be computed directly from an electric field calculated by the
Electrostatics interface. If necessary the velocity can be added to the flow velocity field
to compute the net particle velocity.
DIELECTROPHORESIS
Dielectrophoresis (DEP) describes the motion of polarizable particles suspended in a
fluid with an applied nonuniform electric field. The electric field induces a dipole
moment on the particles, which in turn produces a net force. In the following
MODELING COUPLED PHENOMENA IN MICROFLUIDICS
49
discussion the general case of AC electrophoresis is treated, which is more commonly
used for practical reasons (see Ref. 1 for further details).
For a DC field these results can be applied if Erms=E is used.
The time-dependent dielectrophoretic force acting on a particle in an applied field is
given by (Ref. 1):
F
DEP
( t ) = 2 m a K ( m , p ) ( E ( t ) E ( t ) )
(2-2)
where m and p are the complex permittivities of the medium and the particle
respectively, a is the radius of the particles equivalent homogeneous sphere and
K(m,p) is the Clausius-Mossotti function. The complex permittivity, *, for an
isotropic homogeneous dielectric is
= i ---
where is the electric permittivity, is the electrical conductivity, and is the angular
field frequency. The Clausius-Mossotti function is given by:
p m
K ( m, p ) = --------------------- p + 2 m
which depends on the particles complex permittivity, p, and that of the medium, m.
Taking the time average of Equation 2-2 gives the time averaged force:
F
DEP
( t ) = 2 m r 0 Re ( K ( m, p ) ) ( E rms E rms )
By balancing this force with the Stokes drag force the dielectrophoretic velocity is
obtained:
u
DEP
m r 0 Re ( K ( m, p ) ) ( E rms E rms )
= --------------------------------------------------------------------------------------------3
where is the dynamic viscosity.
The value of Erms can be computed from an Electrostatics interface in which the root
mean square (RMS) voltages are applied as boundary conditions. The gradient of the
field can then be computed term by term from the spatial derivatives of an expression
50 |
CHAPTER 2: MICROFLUIDIC MODELING
for the dot product of the electric field with itself. Finally the dielectrophoretic velocity
term can be added to the velocity field to compute the particle velocity field.
MAGNETOPHORESIS
Particles with an induced or permanent magnetization can be moved relative to a fluid
flow by the application of an external, inhomogeneous magnetic field. This process is
analogous to dielectrophoresis and is usually termed magnetophoresis. In the case of
a nonconducting particle, in a static, irrotational external applied field, Hext, the
magnetophoretic force is given by (Ref. 1):
3
F MAP = 2 m K ( m, p )a ( H ext H ext )
where m and p are the permeabilities of the medium and the particle respectively
(usually m =0), a is the radius of the particles equivalent homogeneous sphere and
K(m,p) is the Clausius-Mossotti function. Note that the external magnetic field,
Hext, should be distinguished from the local field H which includes contributions from
the particle itself. In this case the Clausius-Mossotti function is given by:
p m
K ( m, p ) = ----------------------- p + 2 m
By balancing this force with the Stokes drag force the magnetophoretic velocity is
obtained:
u
MAP
m r 0 K ( m, p ) ( H ext H ext )
= ------------------------------------------------------------------------------3
where is the dynamic viscosity.
The value of Hext can be computed from a Magnetic Fields or a Magnetic Fields, No
Currents interface.
The Magnetic Fields, No Currents interface requires the AC/DC
Module.
The Magnetic Fields Interface in the COMSOL Multiphysics Reference
Manual
MODELING COUPLED PHENOMENA IN MICROFLUIDICS
51
The gradient of the field can then be computed term by term from the spatial
derivatives of an expression for the dot product of the magnetic field with itself. Finally
the magnetophoretic velocity term can be added to the velocity field to compute the
particle velocity field.
ELECTROTHERMALLY-DRIVEN FLOW
Electrothermal body forces arise from electrically generated, nonuniform Joule
heating, which creates variations in conductivity and permittivity and thus Coulomb
and dielectric body forces. It is possible to determine the resulting fluid motion by
solving the Navier-Stokes equations with an additional electrothermal body force
term. The electric field is once again assumed to be quasi-static and can be coupled in
from an Electrostatics interface.
The electrothermal force is given by:
1
1 2
E
F = --- -------- + ------- E -----------------------2- + --- E
2
2
1 + ( )
where is the conductivity, is the fluids permittivity, is the angular frequency of
the electric field, and = / is the fluids charge-relaxation time. The electric-field
vector E contains the amplitude and direction of the AC electric field but not its
instantaneous value.
Because of the heating, and are temperature dependent, and their gradients are
functions of the temperature gradient: = (/T)T and = (/T)T. With
water, for example, the relative change rates for the permittivity and the conductivity
are (1/)(/T) = 0.004 1/K and (1/)(/T) = 0.02 1/K, respectively.
ELECTROWETTING
The contact angle of a two-fluid interface with a solid surface is determined by the
balance of the forces at the contact point. The equilibrium contact angle, 0, is given
by Youngs equation:
s1 + 12 cos 0 = s2
Here s1 is the surface energy per unit area between fluid 1 and the solid surface, s2
is the surface energy per unit area between fluid 2 and the solid surface, and 12 is the
surface tension at the interface between the two fluids.
In electrowetting the balance of forces at the contact point is modified by the
application of a voltage between a conducting fluid and the solid surface. For many
52 |
CHAPTER 2: MICROFLUIDIC MODELING
applications the solid surface consists of a thin dielectric deposited onto a conducting
layer; this is often referred to as Electrowetting on Dielectric (EWOD). In this case,
the capacitance of the dielectric layer dominates over the double layer capacitance at
the solid-liquid interface (Ref. 3). The energy stored in the capacitor formed between
the conducting liquid and the conducting layer in the solid reduces the effective
surface energy of the liquid to which the voltage is applied. For the case when a voltage
difference occurs between fluid 1 and the conductor beyond the dielectric Youngs
equation is modified as follows:
2
V
s1 ---------- + cos ew = s2
2d f
12
Here is the permittivity of the dielectric, V is the potential difference applied, and df
is the dielectric thickness. This equation can be rewritten as
2
V
cos ew = cos 0 + -----------------2 12 d f
(2-3)
Electrowetting can therefore be used to modify the contact angle dynamically by
changing the applied voltage.
The EWOD applications can be modeled by using Equation 2-3 as an expression for
the contact angle. This can simply be entered as the value of the contact angle in the
Two-Phase Flow interface that is being used. Note that the software automatically
handles a time varying voltage in this expression.
For step-by-step instructions, see Electrowetting Lens: Application
Library path Microfluidics_Module/Two-Phase_Flow/electrowetting_lens.
Heat Transfer
It is often necessary to consider the effect of heat flow and temperature dependent
material properties (such as the viscosity or the surface tension) in microfluidic systems.
The COMSOL Multiphysics base package includes physics interfaces for heat transfer
in incompressible fluids and solids. The Heat Transfer Module is required in addition
to this module to model heat flow in compressible fluids and to include viscous heating
terms. This section describes how to couple heat transfer to microfluidics models using
the functionality available in the COMSOL Multiphysics base package and the
Microfluidics Module.
MODELING COUPLED PHENOMENA IN MICROFLUIDICS
53
The Heat Transfer interface includes the equations for heat transfer in both fluid and
solid domains. To model a system consisting of both solid and liquid domains add a
single Heat Transfer interface and then add nodes for Heat Transfer in Solids and Heat
Transfer in Fluids with selections corresponding to the solid and fluid domains
respectively. For a fluid domain the convective flow is coupled into domain by selecting
the velocity field from a corresponding Laminar Flow or Creeping Flow interface.
The fluid domain models the heat transfer including both convection and conduction
according to the equation:
T
C p ------- + ( u )T = ( q ) + Q
t
where, is the fluid density (SI unit: kg/m3), Cp is the specific heat capacity at
constant pressure (SI unit: J/(kgK)), T is absolute temperature (SI unit: K), u is the
velocity vector (SI unit: m/s), q is the heat flux by conduction (SI unit: W/m2), and
Q contains heat sources other than viscous heating (SI unit: W/m3). For a solid
domain the following equation applies:
T
C p ------- = ( q ) + Q
t
When using the heat transfer in solids and in fluids domain properties the software
automatically includes the heat transfer between the solid and the fluid. It is important
to include the correct thermal boundary conditions on regions where fluid flows into
or out of a domain, typically a Temperature condition for an inlet and an Outflow
condition for an outlet.
For a detailed discussion of the fundamentals of heat transfer, see Ref. 4.
More details of the heat transfer capabilities can be found in The Heat
Transfer Interfaces in the COMSOL Multiphysics Reference Manual.
Coupling to Other Physics Interfaces
COMSOL is not limited to the common couplings described in this chapterthere
are many other phenomena that can be easily modeled in microfluidics. In many cases
physics interfaces can be coupled simply by entering expressions from one physics
interface (such as the local temperature) into fields in another physics interface (for
example in the Model Inputs section of a Fluid Properties node). Additionally COMSOL
54 |
CHAPTER 2: MICROFLUIDIC MODELING
includes powerful coupling operators that enable physics interfaces to be linked by
projections, extrusions, or scalar quantities such as integrals and global averages.
Component Couplings and Coupling Operators in the COMSOL
Multiphysics Reference Manual
MODELING COUPLED PHENOMENA IN MICROFLUIDICS
55
Modeling Rarefied Gas Flows
In this section:
The Flow Regimes
Slip Flow
References for the Theory of Microfluidics
The Flow Regimes
Rarefied gas flow occurs when the mean free path, , of the molecules becomes
comparable with the length scale of the flow, l. There are four flow regimes depending
on the value of the Knudsen number, Kn=/l (Ref. 5):
Continuum flow (Kn<0.01)
Slip flow (0.01<Kn<0.1)
Transitional flow (0.1<Kn<10)
Free molecular flow (Kn>10)
These flow regimes are shown in Figure 2-4. In the continuum flow regime the
Navier-Stokes equations are applicable, as discussed in Modeling Microfluidic Fluid
Flows. Gases flowing in the slip flow regime can be modeled using the Navier Stokes
equations with modified boundary conditions. The Slip Flow interface is included with
the Microfluidics Module and can be used to model gas flows at these moderate
Knudsen numbers. The Molecular Flow Module includes the Transitional Flow and
the Free Molecular Flow interfaces, which can be used to model fully kinetic gas flows,
at Knudsen numbers greater than 0.1.
56 |
CHAPTER 2: MICROFLUIDIC MODELING
Continuum
flow
Slip flow
Transitional
flow
Free molecular
flow
Figure 2-4: A plot showing the main fluid flow regimes for rarefied gas flows. Different
regimes are separated by lines of constant Knudsen numbers. The number density of the
gas is normalized to the number density of an ideal gas at a pressure of 1 atmosphere and
a temperature of 0 C (n0).
Slip Flow
In the slip flow regime, the Navier-Stokes equations can still be used with modified
boundary conditions to account for rarefaction effects close to the wall. A layer of
rarefied gas with a size similar to the mean free path develops close to the wallthis is
termed the Knudsen layer. The Navier-Stokes equations are not applicable in this
layer, but the flow outside the layer can be described by extrapolating the bulk gas flow
towards the wall and applying Maxwells slip boundary condition at the wall (Ref. 5).
For thermal flows the von Smoluchowski temperature jump boundary condition must
also be applied (Ref. 5).
To model flows in the slip flow regime use the Slip Flow interface. That physics
interface can be used to model isothermal and non-isothermal flows with or without
explicit modeling of thermal processes in adjacent solid domains. To model isothermal
flows use the Temperature boundary on all external model surfaces, with the
temperature set equal to the fluid temperature. The Slip Wall and External Slip Wall
boundary conditions are used to model slip on interior and exterior model boundaries
respectively. These boundary conditions include thermal creep or transpiration, viscous
MODELING RAREFIED GAS FLOWS
57
slip, and the von Smoluchowski temperature jump. The slip coefficients can be
specified directly or by means of Maxwells model. For further details see The Slip Flow
Interface and Theory for the Slip Flow Interface.
The Temperature boundary condition is described for the Heat
Transfer interface in the COMSOL Multiphysics Reference Manual.
Slip Velocity
References for the Theory of Microfluidics
1. H. Bruus, Theoretical Microfluidics, Oxford University Press, 2008.
2. R.F. Probstein, Physicochemical Hydrodynamics: An Introduction, 2nd ed.,
Wiley-Interscience, 2003.
3. F. Mugele and J.C. Baret, Electrowetting: from basics to applications, J. Phys.
Condens. Matter, vol. 17, pp. R705R774, 2005.
4. F.P. Incropera and D.P. DeWitt, Fundamentals of Heat and Mass Transfer, 4th
ed., John Wiley & Sons, 1996.
5. G. Kariadakis, A. Beskok, and N. Aluru, Microflows and Nanoflows, Springer
Science and Business Media, 2005.
58 |
CHAPTER 2: MICROFLUIDIC MODELING
Single-Phase Flow Interfaces
There are several Fluid Flow interfaces available with the Microfluidics Module.
These are grouped by type and found under the Fluid Flow>Single-Phase Flow
branch (
) when adding a physics interface. See Modeling Microfluidic Fluid
Flows to help you select which physics interface to use.
In this chapter:
The Laminar Flow and Creeping Flow Interfaces
Theory for the Single-Phase Flow Interfaces
59
The Laminar Flow and Creeping Flow
Interfaces
In this section:
The Laminar Flow Interface
The Creeping Flow Interface
Domain, Boundary, Pair, and Point Nodes for Single-Phase Flow
Theory for the Single-Phase Flow Interfaces
In the COMSOL Multiphysics Reference Manual see Table 2-3 for links to common
sections such as Discretization, Consistent Stabilization, and Inconsistent Stabilization,
) and
and Advanced Settings sections, all accessed by clicking the Show button (
choosing the applicable option. You can also search for information: press F1 to open
the Help window or Ctrl+F1 to open the Documentation window.
The Laminar Flow Interface
The Laminar Flow (spf) interface (
) is used to compute the velocity and pressure
fields for the flow of a single-phase fluid in the laminar flow regime. A flow remains
laminar as long as the Reynolds number is below a certain critical value. At higher
Reynolds numbers, disturbances have a tendency to grow and cause transition to
turbulence. This critical Reynolds number depends on the model, but a classical
example is pipe flow where the critical Reynolds number is known to be approximately
2000.
The physics interface supports incompressible flows and compressible flows at low
Mach numbers (typically less than 0.3). It also supports flow of non-Newtonian fluids.
The equations solved by the Laminar Flow interface are the Navier-Stokes equations
for conservation of momentum and the continuity equation for conservation of mass.
The Laminar Flow interface can be used for stationary and time-dependent analyses.
Time-dependent studies should be used in the high-Reynolds number regime as these
flows tend to become inherently unsteady.
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CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
When the Laminar Flow interface is added, the following default nodes are also added
in the Model BuilderFluid Properties, Wall (the default boundary condition is No slip)
and Initial Values. Other nodes, that implement, for example, boundary conditions and
volume forces, can be added from the Physics toolbar or from the context menu
displayed when right-clicking Laminar Flow.
SETTINGS
The Label is the default physics interface name.
The Name is used primarily as a scope prefix for variables defined by the physics
interface. Physics interface variables can be referred to using the pattern
<name>.<variable_name>. In order to distinguish between variables belonging to
different physics interfaces, the name string must be unique. Only letters, numbers and
underscores (_) are permitted in the Name field. The first character must be a letter.
The default Name (for the first physics interface in the model) is spf.
About the Physics Interface Label Names
The label for a single-phase flow interface (the node name in the Model Builder) is
dynamic and is re-set according to the turbulence model and the neglect inertial term
(Stokes flow) property set at the physics interface level. The availability also depends
on the software license.
If the Neglect inertial term (Stokes flow) check box is selected, then the Label changes
to Creeping Flow, which is the same Label that displays when that interface is added
from the Model Wizard or Add Physics window.
PHYSICAL MODEL
Compressibility
Fully compressible flow can be simulated by selecting the Compressible flow (Ma<0.3)
option.
Porous Media Domains
With the addition of various modules, the Enable porous media domains check box is
available. Selecting this option, a Fluid and Matrix Properties node, a Mass Source node,
and a Forchheimer Drag subnode are added to the physics interface. These are described
for the Brinkman Equations interface in the respective modules documentation. The
Fluid and Matrix Properties can be applied on all domains or on a subset of the domains.
THE LAMINAR FLOW AND CREEPING FLOW INTERFACES
61
Neglect Inertial Term (Stokes Flow)
For low Reynolds number flows, the inertial terms in the Navier-Stokes equations may
be neglected.
Use Shallow Channel Approximation
For 2D components, selecting the Use shallow channel approximation check box enables
modeling of fluid flow in shallow channels in microfluidics applications. Such channels
often have an almost rectangular cross section where the Channel thickness dz is much
smaller than the channel width. Simple 2D components often fail to give correct results
for this type of problems because they exclude the boundaries that have the greatest
effect on the flow. The shallow channel approximation takes the effect of these
boundaries into account by adding a drag term as a volume force to the momentum
equation. The form of this term is
u
F = 12 --------2
dz
(3-1)
where is the fluids dynamic viscosity, u is the velocity field, and dz is the channel
thickness. This term represents the resistance that the parallel boundaries impose on
the flow; however, it does not account for any changes in velocity due to variations in
the cross-sectional area of the channel.
Reference Pressure Level
There are generally two ways to include the pressure in fluid flow computations: either
to use the absolute pressure pA=p+pref, or the gauge pressure p. When pref is non-zero,
the physics interface solves for the gauge pressure whereas material properties are
evaluated using the absolute pressure.
DEPENDENT VARIABLES
The following dependent variables (fields) are defined for this physics interfacethe
Velocity field u and its components, and the Pressure p.
If required, the names of the field, component, and dependent variable may be edited.
Editing the name of a scalar dependent variable changes both its field name and the
dependent variable name. If a new field name coincides with the name of another field
of the same type, the fields share degrees of freedom and dependent variable names. A
new field name must not coincide with the name of a field of another type, or with a
component name belonging to some other field. Component names must be unique
within a model except when two fields share a common field name.
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CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
ADVANCED SETTINGS
To display this section, click the Show button (
) and select Advanced Physics Options.
Normally these settings do not need to be changed.
The Use pseudo time stepping for stationary equation form option adds pseudo time
derivatives to the equation when the Stationary equation form is used in order to speed
up convergence. When selected, a CFL number expression should also be defined. For
the default Automatic option, the local CFL number (from the CourantFriedrichs
Lewy condition) is determined by a PID regulator.
Pseudo Time Stepping for Laminar Flow Models
Domain, Boundary, Pair, and Point Nodes for Single-Phase Flow
Theory for the Single-Phase Flow Interfaces
Flow Past a Cylinder: Application Library path
COMSOL_Multiphysics/Fluid_Dynamics/cylinder_flow
The Creeping Flow Interface
The Creeping Flow (spf) interface (
) is used for simulating fluid flows at very low
Reynolds numbers for which the inertial term in the Navier-Stokes equations can be
neglected. Creeping flow, also referred to as Stokes flow, occurs in systems with high
viscosity or small geometrical length scales (for example, in microfluidics and MEMS
devices). The fluid can be compressible or incompressible, as well as Newtonian or
non-Newtonian.
The equations solved by the Creeping Flow interface are the Stokes equations for
conservation of momentum and the continuity equation for conservation of mass.
The Creeping Flow interface can be used for stationary and time-dependent analyses.
The main feature is the Fluid Properties node, which adds the Stokes equations and
provides an interface for defining the fluid material and its properties. Except where
noted below, see The Laminar Flow Interface for all other settings.
PHYSICAL MODEL
By default, the Neglect inertial term (Stokes flow) check box is selected. If unchecked,
the inertial terms are included in the computations.
THE LAMINAR FLOW AND CREEPING FLOW INTERFACES
63
DISCRETIZATION
By default, the Creeping Flow interface uses P2+P1 elements. Contrary to general
laminar and turbulent single-phase flow simulations employing purely linear P1+P1
elements, P2+P1 elements are well suited for Creeping flow simulations.
CONSISTENT STABILIZATION
This check box is selected by default and should remain selected for optimal
performance. The consistent stabilization method does not perturb the original
transport equation.
The Laminar Flow Interface
Theory for the Single-Phase Flow Interfaces
Transport in an Electrokinetic Valve: Application Library path
Microfluidics_Module/Fluid_Flow/electrokinetic_valve
Controlled Diffusion Micromixer: Application Library path
Microfluidics_Module/Micromixers/controlled_diffusion_micromixer
64 |
CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
Domain, Boundary, Pair, and Point Nodes for Single-Phase Flow
The following nodes, listed in alphabetical order, are available from the Physics ribbon
toolbar (Windows users), Physics context menu (Mac or Linux users), or by
right-clicking to access the context menu (all users).
Boundary Stress
Periodic Flow Condition
Flow Continuity
Pipe Connection1
Fluid Properties
Point Mass Source1
Initial Values
Pressure Point Constraint
Inlet
Symmetry
Line Mass Source1
Volume Force
Open Boundary
Wall
Outlet
1 A feature that may require an additional license
For 2D axisymmetric components, COMSOL Multiphysics takes the axial
symmetry boundaries (at r = 0) into account and adds an Axial Symmetry
node that is valid on the axial symmetry boundaries only.
In the COMSOL Multiphysics Reference Manual see Table 2-3 for links to common
sections and Table 2-4 to common feature nodes. You can also search for information:
press F1 to open the Help window or Ctrl+F1 to open the Documentation window.
Fluid Properties
The Fluid Properties node adds the momentum and continuity equations solved by the
physics interface, except for volume forces which are added by the Volume Force
feature. The node also provides an interface for defining the material properties of the
fluid.
MODEL INPUTS
Fluid properties, such as density and viscosity, can be defined through user inputs,
variables or by selecting a material. For the latter option, additional inputs, for example
temperature and/or pressure, may be required to define these properties.
THE LAMINAR FLOW AND CREEPING FLOW INTERFACES
65
Temperature
By default, the single-phase flow interfaces are set to model isothermal flow. If a Heat
Transfer interface is included in the component, the temperature field may
alternatively be selected from this physics interface. All physics interfaces have their
own tags (Name). For example, if a Heat Transfer in Fluids interface is included in the
component, the Temperature (ht) option is available for T.
Absolute Pressure
This input appears when a material requires the absolute pressure as a model input.
The absolute pressure is used to evaluate material properties, but it also relates to the
value of the calculated pressure field. There are generally two ways to calculate the
pressure when describing fluid flow: either to solve for the absolute pressure or for a
pressure (often denoted gauge pressure) that relates to the absolute pressure through
a reference pressure.
The choice of pressure variable depends on the system of equations being solved. For
example, in a unidirectional incompressible flow problem, the pressure drop over the
modeled domain is probably many orders of magnitude smaller than the atmospheric
pressure, which, when included, may reduce the stability and convergence properties
of the solver. In other cases, such as when the pressure is part of an expression for the
gas volume or the diffusion coefficients, it may be more convenient to solve for the
absolute pressure.
The default Absolute pressure pA is p+pref where p is the dependent pressure variable
from the Navier-Stokes or RANS equations, and pref is from the user input defined at
the physics interface level. When pref is non zero, the physics interface solves for a
gauge pressure. If the pressure field instead is an absolute pressure field, pref should be
set to 0.
The Absolute pressure field can be edited by clicking Make All Model Inputs Editable
(
) and entering the desired value in the input field.
FLUID PROPERTIES
Density
If density variations with respect to pressure are to be included in the computations,
the flow must be set to compressible (at the physics interface level).
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CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
Dynamic Viscosity
The Dynamic viscosity describes the relationship between the shear rate and the shear
stresses in a fluid. Intuitively, water and air have low viscosities, and substances often
described as thick (such as oil) have higher viscosities.
Using the built-in variable for the shear rate magnitude, [Link], makes it possible to
define arbitrary expressions of the dynamic viscosity as a function of the shear rate.
For laminar flow, the Non-Newtonian power law may be used to model the viscosity of
a non-Newtonian fluid. The following model parameters are required for the
Non-Newtonian power law:
Fluid consistency coefficient m
Flow behavior index n
Lower shear rate limit min
Alternatively, the Non-Newtonian Carreau model may be used to model the viscosity of
a non-Newtonian fluid for laminar flow. The following Carreau model parameters are
required:
Zero shear rate viscosity 0
Infinite shear rate viscosity inf
Model parameter and n
The non-Newtonian fluids models have a shear-rate dependent viscosity. Examples of
non-Newtonian fluids include yogurt, paper pulp, and polymer suspensions. See
Non-Newtonian Flow: The Power Law and the Carreau Model.
Volume Force
The Volume Force node specifies the volume force F on the right-hand side of the
momentum equation, and may, for example, be used to incorporate the effects of
gravity in a component.
u
2
T
+ ( u )u = pI + ( u + ( u ) ) --- ( u )I + F
3
t
THE LAMINAR FLOW AND CREEPING FLOW INTERFACES
67
If several volume-force nodes are added to the same domain, then the sum of all
contributions are added to the momentum equation.
The Boussinesq Approximation
Initial Values
The initial values serve as initial conditions for a transient simulation or as an initial
guess for a nonlinear solver in a stationary simulation. Note that for a transient
compressible-flow simulation employing a material for which the density depends on
the pressure (such as air), discontinuities in the initial values trigger pressure waves
even when the Mach number is small. The pressure waves must be resolved and this
puts a restriction on the time step.
INITIAL VALUES
Initial values or expressions should be specified for the Velocity field u and the Pressure
p.
Wall
The Wall node includes a set of boundary conditions describing fluid-flow conditions
at stationary, moving and leaking walls.
BOUNDARY CONDITION
Select a Boundary condition for the wall.
No Slip1
Leaking Wall
Slip
Electroosmotic Velocity
Sliding Wall
Slip Velocity
Moving Wall
1 The default
No Slip
No slip is the default boundary condition for a stationary solid wall for laminar flow.
The condition prescribes u = 0, that is, the fluid at the wall is not moving.
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CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
Slip
The Slip option prescribes a no-penetration condition, un=0. It is implicitly assumed
that there are no viscous effects at the slip wall and hence, no boundary layer develops.
From a modeling point of view, this can be a reasonable approximation if the main
effect of the wall is to prevent fluid from leaving the domain.
Sliding Wall
The Sliding wall boundary condition is appropriate if the wall behaves like a conveyor
belt; that is, the surface is sliding in its tangential direction. A velocity is prescribed at
the wall and the boundary itself does not have to actually move relative to the reference
frame.
For 3D components, values or expressions for the Velocity of sliding wall uw should
be specified. If the velocity vector entered is not in the plane of the wall, COMSOL
Multiphysics projects it onto the tangential direction. Its magnitude is adjusted to
be the same as the magnitude of the vector entered.
For 2D components, the tangential direction is unambiguously defined by the
direction of the boundary. For this reason, the sliding wall boundary condition has
different definitions in different space dimensions. A single entry for the Velocity of
the tangentially moving wall Uw should be specified in 2D.
Moving Wall
For an arbitrary wall movement, the condition u = uw may be prescribed. In this case,
the components of the Velocity of moving wall uw should be specified.
Specifying this boundary condition does not automatically cause the associated wall to
move. An additional Moving Mesh interface needs to be added to physically track the
wall movement in the spatial reference frame.
Leaking Wall
This boundary condition may be used to simulate a wall where fluid is leaking into or
leaving the domain with the velocity u = ul through a perforated wall. The
components of the Fluid velocity ul on the leaking wall should be specified.
Electroosmotic Velocity
When an electric field drives a flow along the boundary, the components for the Electric
field E along with the Electroosmotic mobility eo should be defined. The Built-in
expression for the Electroosmotic mobility requires values or expressions for the Zeta
potential and the Relative permittivity r.
THE LAMINAR FLOW AND CREEPING FLOW INTERFACES
69
Slip Velocity
In the microscale range, the flow condition at a boundary is seldom strictly no slip or
slip. Instead, the boundary condition is something in between, and there is a Slip
velocity at the boundary. Two phenomena account for this velocity: noncontinuum
effects and the flow induced by a thermal gradient along the boundary. The
components of Velocity of moving wall: uw should be specified. Zero values are used for
a stationary wall.
When the Use viscous slip check box is selected, the default Slip length Ls is User defined.
Another value or expression may be entered if the default value is not applicable. For
Maxwells model values or expressions for the Tangential momentum accommodation
coefficient av and the Mean free path should be specified. Tangential accommodation
coefficients are typically in the range of 0.85 to 1.0 and can be found in G. Kariadakis,
A. Beskok, and N. Aluru, Microflows and Nanoflows, Springer Science and Business
Media, 2005.
When the Use thermal creep check box is selected, a thermal creep contribution with
Thermal slip coefficient T is activated. Thermal slip coefficients are typically between
0.3 and 1.0 and can be found in G. Kariadakis, A. Beskok, and N. Aluru, Microflows
and Nanoflows, Springer Science and Business Media, 2005.
CONSTRAINT SETTINGS
This section is displayed by clicking the Show button (
) and selecting Advanced
Physics Options.
Theory for the Wall Boundary Condition
Moving Mesh Interface in the COMSOL Multiphysics Reference
Manual
Inlet
This condition should be used on boundaries for which there is a net flow into the
domain. To obtain a numerically well posed problem, it is advisable to also consider
the Outlet condition(s) when specifying an Inlet condition. For example, if the
pressure is specified at the outlet, the velocity may be specified at the inlet, and vice
versa. Specifying the velocity vector at both the inlet and the outlet may cause
convergence difficulties.
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CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
BOUNDARY CONDITION
The available Boundary condition options for an inlet are Velocity, Laminar inflow, Mass
flow, and Pressure. After selecting a Boundary Condition from the list, a section with the
same or a similar name displays underneath. For example, if Velocity is selected, a
Velocity section, where further settings are defined, is displayed.
VE L O C I T Y
The Normal inflow velocity is specified as u = nU0, where n is the boundary normal
pointing out of the domain and U0 is the normal inflow speed.
The Velocity field option sets the velocity vector to u = u0. The components of the inlet
velocity vector u0 should be defined for this choice.
PRESSURE CONDITIONS
This option specifies the normal stress which in most cases is approximately equal to
the pressure. If the reference pressure pref, defined at the physics interface level, is
equal to 0, the value of the Pressure p0, at the boundary, is the absolute pressure.
Otherwise, p0 is the relative pressure at the boundary.
The Suppress backflow option adjusts the inlet pressure locally in order to prevent
fluid from exiting the domain through the boundary. If suppress backflow is
deselected, the inlet boundary can become an outlet depending on the pressure field
in the rest of the domain.
Flow direction controls in which direction the fluid enters the domain.
- For Normal flow it prescribes zero tangential velocity component.
- For User defined, an Inflow velocity direction du (dimensionless) should be
specified. The magnitude of du does not matter, only the direction. du must
point into the domain.
LAMINAR INFLOW
This boundary condition is applicable when the fluid enters the domain from a long
pipe or channel, in which the laminar flow profile is fully developed. The normal stress
at the inlet is determined from the flow conditions at the entrance to a fictitious
channel of length Lentr appended to the boundary. The inflow can be specified by the
Average velocity Uav, the Flow rate V0, or the Entrance pressure pentr.
The Entrance length Lentr should be significantly greater than 0.06ReD, where Re is
the Reynolds number and D is the inlet length scale (hydraulic diameter), in order that
the flow can adjust to a fully developed laminar profile.
THE LAMINAR FLOW AND CREEPING FLOW INTERFACES
71
The Constrain outer edges to zero option forces the laminar profile to go to zero at the
bounding points or edges of the inlet channel. Otherwise the velocity is defined by the
boundary condition of the adjacent boundary in the computational domain. For
example, if one end of a boundary with a Laminar inflow condition connects to a slip
boundary, the laminar profile will have a maximum at that end.
MASS FLOW
The mass flow at an inlet can be specified by the Mass flow rate, the Pointwise mass flux,
the Standard flow rate, or the Standard flow rate (SCCM).
Mass Flow Rate
The Mass flow rate option sets the integrated mass flow across the entire boundary, the
Normal mass flow rate to a specific value, m. The mass flow is assumed to be parallel to
the boundary normal, and the tangential flow velocity is set to zero.
For 2D components, the Channel thickness dbc is used to define the area across which
the mass flow occurs. This setting is not applied to the whole model. Line or surface
integrals of the mass flow over the boundary evaluated during post-processing or used
in integration coupling operators do not include this scaling automatically. Such results
should be appropriately scaled when comparing them with the specified mass flow.
Pointwise Mass Flux
The Pointwise mass flux sets the mass flow parallel to the boundary normal. The
tangential flow velocity is set to zero. The mass flux is a model input, which means that
COMSOL Multiphysics can take its value from another physics interface when
available. When User defined is selected a value or function Mf should be specified for
the Mass flux.
Standard Flow Rate
The Standard flow rate Qsv sets a standard volumetric flow rate, according to the SEMI
standard E12-0303. The mass flow rate is specified as the volumetric flow rate of a gas
at standard densitythe Mean molar mass Mn divided by a Standard molar volume Vm
(i.e. the volume of one mole of a perfect gas at standard pressure and standard
temperature). The flow occurs across the whole boundary in the direction of the
boundary normal and is computed by a surface (3D) or line (2D) integral. The
tangential flow velocity is set to zero.
The standard density can be defined directly, or by specifying a standard pressure and
temperature, in which case the ideal gas law is assumed. The options in the
Standard flow rate defined by list are:
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CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
Standard density, for which the Standard molar volume Vm should be specified.
Standard pressure and temperature, for which the Standard pressure Pst and the
Standard temperature Tst should be defined.
For 2D components, the Channel thickness dbc is used to define the area across which
the mass flow occurs. This setting is not applied to the whole model. Line or surface
integrals of the mass flow over the boundary evaluated during post-processing or used
in integration coupling operators do not include this scaling automatically. Such results
should be appropriately scaled when comparing them with the specified mass flow.
Standard Flow Rate (SCCM)
The Standard flow rate (SCCM) boundary condition is equivalent to the Standard flow
rate boundary condition, except that the flow rate is entered directly in SCCMs
(standard cubic centimeters per minute) without the requirement to specify units.
Here, the dimensionless Number of SCCM units Qsccm should be specified.
CONSTRAINT SETTINGS
This section is displayed by clicking the Show button (
Physics Options.
) and selecting Advanced
Prescribing Inlet and Outlet Conditions
Normal Stress Boundary Condition
Outlet
This condition should be used on boundaries for which there is a net outflow from the
domain. To obtain a numerically well posed problem, it is advisable to also consider
the Inlet condition(s) when specifying an Outlet condition. For example, if the velocity
is specified at the inlet, the pressure may be specified at the outlet, and vice versa.
Specifying the velocity vector at both the inlet and the outlet may cause convergence
difficulties. Selecting appropriate outlet conditions for the Navier-Stokes equations is
a non-trivial task. Generally, if there is something interesting happening at an outflow
boundary, the computational domain should be extended to include this
phenomenon.
BOUNDARY CONDITION
The available Boundary condition options for an outlet are Pressure, Laminar outflow,
and Velocity.
THE LAMINAR FLOW AND CREEPING FLOW INTERFACES
73
PRESSURE CONDITIONS
This option specifies the normal stress which in most cases is approximately equal to
the pressure. The tangential stress component is set to zero. If the reference pressure
pref, defined at the physics interface level, is equal to 0, the value of the Pressure p0, at
the boundary, is the absolute pressure. Otherwise, p0 is the relative pressure at the
boundary.
The Normal flow option changes the no tangential stress condition to a no tangential
velocity condition. This forces the flow to exit (or enter) the domain perpendicularly
to the outlet boundary.
The Suppress backflow check box is selected by default. This option adjusts the outlet
pressure in order to prevent fluid from entering the domain through the boundary.
VE L O C I T Y
See the Inlet node Velocity section for the settings.
LAMINAR OUTFLOW
This boundary condition is applicable when the flow exits the domain into a long pipe
or channel, at the end of which a laminar flow profile is fully developed. The normal
stress at the outlet is determined from the flow conditions at the end of a fictitious
channel appended to the outlet boundary. The outflow can be specified by the Average
velocity Uav, the Flow rate V0, or the Exit pressure pexit.
The Exit length Lexit should be significantly greater than 0.06ReD, where Re is the
Reynolds number and D is the outlet length scale (hydraulic diameter), in order that
the flow can adjust to a fully developed laminar profile.
The Constrain outer edges to zero option forces the laminar profile to go to zero at the
bounding points or edges of the outlet channel. Otherwise the velocity is defined by
the boundary condition of the adjacent boundary in the computational domain. For
example, if one end of a boundary with a Laminar outflow condition connects to a slip
boundary, the laminar profile will have a maximum at that end.
CONSTRAINT SETTINGS
This section is displayed by clicking the Show button (
Physics Options.
Prescribing Inlet and Outlet Conditions
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CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
) and selecting Advanced
Symmetry
The Symmetry boundary condition prescribes no penetration and vanishing shear
stresses. The boundary condition is a combination of a Dirichlet condition and a
Neumann condition:
pI + ( u + ( u ) T ) 2
--- ( u )I n = 0
u n = 0,
u n = 0,
( pI + ( u + ( u ) T ) )n = 0
for the compressible and incompressible formulations. The Dirichlet condition takes
precedence over the Neumann condition, and the above equations are equivalent to
the following equation for both the compressible and incompressible formulations:
u n = 0,
K ( K n )n = 0
K = ( u + ( u ) T )n
BOUNDARY SELECTION
For 2D axial symmetry, a boundary condition does not need to be defined for the
symmetry axis at r = 0. The software automatically provides a condition that prescribes
ur = 0 and vanishing stresses in the z direction and adds an Axial Symmetry node that
implements these conditions on the axial symmetry boundaries only.
CONSTRAINT SETTINGS
This section is displayed by clicking the Show button (
) and selecting Advanced
Physics Options.
Open Boundary
The Open Boundary conditions describes boundaries in contact with a large volume of
fluid. Fluid can both enter and leave the domain on boundaries with this type of
condition.
BOUNDARY CONDITIONS
The Boundary condition options for open boundaries are Normal stress and No viscous
stress.
Normal Stress
The Normal stress f0 condition implicitly imposes p f0 .
THE LAMINAR FLOW AND CREEPING FLOW INTERFACES
75
No Viscous Stress
The No Viscous Stress condition specifies vanishing viscous stress on the boundary. This
condition does not provide sufficient information to fully specify the flow at the open
boundary and must at least be combined with pressure constraints at adjacent points.
The No viscous stress condition prescribes:
( u + ( u ) T ) 2
--- ( u )I n = 0
3
( u + ( u ) T )n = 0
for the compressible and the incompressible formulations. This condition can be useful
in some situations because it does not impose any constraint on the pressure. A typical
example is a model with volume forces that give rise to pressure gradients that are hard
to prescribe in advance. To make the model numerically stable, this boundary
condition should be combined with a point constraint on the pressure.
Boundary Stress
The Boundary Stress node adds a boundary condition that represents a general class of
conditions also known as traction boundary conditions.
BOUNDARY CONDITION
The Boundary condition options for the boundary stress are General stress, Normal
stress, and Normal stress, normal flow.
General Stress
When General stress is selected, the components for the Stress F should be specified.
The total stress on the boundary is set equal to the given stress F:
pI + ( u + ( u ) T ) 2
--- ( u )I n = F
3
( pI + ( u + ( u ) T ) )n = F
for the compressible and the incompressible formulations.
This boundary condition implicitly sets a constraint on the pressure that for 2D flows is
u n
p = 2 ---------- n F
n
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CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
(3-2)
If un/n is small, Equation 3-2 states that p nF.
Normal Stress
Normal Stress is described for the Open Boundary node.
Normal Stress, Normal Flow
For Normal stress, normal flow, the magnitude of the Normal stress f0 should be
specified. The tangential velocity is set to zero on the boundary:
2
T
n pI + ( u + ( u ) T ) --- ( u )I n = f 0 ,
3
T
n ( pI + ( u + ( u ) T ) )n = f 0 ,
tu = 0
tu = 0
for the compressible and the incompressible formulations.
This boundary condition implicitly sets a constraint on the pressure that for 2D flows is
u n
p = 2 ---------- + f 0
n
(3-3)
If un/n is small, Equation 3-3 states that p f0.
CONSTRAINT SETTINGS
This section is displayed by clicking the Show button (
) and selecting Advanced
Physics Options.
If Normal Stress, Normal Flow is selected as the Boundary condition, then to Apply
reaction terms on all dependent variables, the All physics (symmetric) option should be
selected. Alternatively, the Individual dependent variables could be selected to restrict
the reaction terms as needed.
Periodic Flow Condition
The Periodic Flow Condition splits its selection into a source group and a destination
group. Fluid that leaves the domain through one of the destination boundaries enters
the domain through the corresponding source boundary. This corresponds to a
situation where the geometry is a periodic part of a larger geometry. If the boundaries
are not parallel to each other, the velocity vector is automatically transformed.
If the boundaries are curved, it is recommended to only include two boundaries.
THE LAMINAR FLOW AND CREEPING FLOW INTERFACES
77
No input is required when Compressible flow (Ma<0.3) is selected for Compressibility
under the Physical Model section for the physics interface. Typically when a periodic
boundary condition is used with a compressible flow the pressure is the same at both
boundaries and the flow is driven by a volume force.
PRESSURE DIFFERENCE
This section is available when Incompressible flow is selected for Compressibility under
the Physical Model section for the physics interface.
A value or expression should be specified for the Pressure difference, psrc pdst. This
pressure difference can, for example, drive the fully developed flow in a channel.
To set up a periodic boundary condition both boundaries must be selected in the
Periodic Flow Condition node. COMSOL Multiphysics automatically assigns one
boundary as the source and the other as the destination. To manually set the
destination selection, a Destination Selection subnode is available from the context
menu (by right-clicking the parent node) or from the Physics toolbar, Attributes menu.
All destination sides must be connected.
CONSTRAINT SETTINGS
This section is displayed by clicking the Show button (
) and selecting Advanced
Physics Options.
Pipe Connection
This feature is available with a license for the Pipe Flow Module. For details see Pipe
Connection the in the Pipe Flow Module Users Guide.
Flow Continuity
The Flow Continuity condition is suitable for pairs where the boundaries match; it
prescribes that the flow field is continuous across the pair.
A Wall subnode is added by default and it applies to the parts of the pair boundaries
where a source boundary lacks a corresponding destination boundary and vice versa.
The Wall feature can be overridden by any other boundary condition that applies to
exterior boundaries. By right-clicking the Flow Continuity node, additional Fallback
feature subnodes can be added.
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CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
Pressure Point Constraint
The Pressure Point Constraint condition can be used to specify the pressure level. If it
is not possible to specify the pressure level using a boundary condition, the pressure
level must be set in some other way, for example, by specifying a fixed pressure at a
point.
PRESSURE CONSTRAINT
The relative pressure value is set by specifying the Pressure p0. Or, if the reference
pressure pref defined at the physics interface level is equal to zero, p0 represents the
absolute pressure.
CONSTRAINT SETTINGS
This section is displayed by clicking the Show button (
) and selecting Advanced
Physics Options.
Point Mass Source
This feature requires at least one of the following licenses: Batteries & Fuel Cells
Module, CFD Module, Chemical Reaction Engineering Module, Corrosion Module,
Electrochemistry Module, Electrodeposition Module, Microfluidics Module, Pipe
Flow Module, or Subsurface Flow Module.
The Point Mass Source feature models mass flow originating from an infinitely small
domain centered around a point
For the Reacting Flow in Porous Media, Diluted Species interface, which is available
with the CFD Module, Chemical Reaction Engineering Module, or Batteries & Fuel
Cells Module, there are two nodes, one for the fluid flow (Fluid Point Source) and one
for the species (Species Point Source).
SOURCE STRENGTH
The source Mass flux, q p should be specified. A positive value results in mass being
ejected from the point into the computational domain. A negative value results in mass
being removed from the computational domain.
THE LAMINAR FLOW AND CREEPING FLOW INTERFACES
79
Point sources located on a boundary or on an edge affects the adjacent computational
domains. This has the effect, for example, that a point source located on a symmetry
plane has twice the given strength.
Numerical StabilityStabilization Techniques for Fluid Flow in the
COMSOL Multiphysics Reference Manual
Line Mass Source
This feature requires at least one of the following licenses: Batteries & Fuel Cells
Module, CFD Module, Chemical Reaction Engineering Module, Corrosion Module,
Electrochemistry Module, Electrodeposition Module, Microfluidics Module, Pipe
Flow Module, or Subsurface Flow Module.
The Line Mass Source feature models mass flow originating from a tube region with
infinitely small radius.
For the Reacting Flow in Porous Media, Diluted Species interface, which is available
with the CFD Module, Chemical Reaction Engineering Module, or Batteries & Fuel
Cells Module, there are two nodes, one for the fluid flow (Fluid Line Source) and one
for the species (Species Line Source).
SELECTION
The Line Mass Source feature is available for all dimensions, but the applicable selection
differs between the dimensions.
MODEL DIMENSION
APPLICABLE GEOMETRICAL ENTITY
2D
Points
2D Axisymmetry
Points not on the axis of symmetry
3D
Edges
SOURCE STRENGTH
The source Mass flux, q l should be specified. A positive value results in mass being
ejected from the line into the computational domain and a negative value means that
mass is removed from the computational domain.
Line sources located on a boundary affect the adjacent computational domains. This,
for example, has the effect that a line source located on a symmetry plane has twice the
given strength.
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CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
Numerical StabilityStabilization Techniques for Fluid Flow in the
COMSOL Multiphysics Reference Manual
THE LAMINAR FLOW AND CREEPING FLOW INTERFACES
81
Theory for the Single-Phase Flow
Interfaces
The theory for the Single-Phase Flow, Laminar Flow interface is described in this
section:
General Single-Phase Flow Theory
Compressible Flow
The Mach Number Limit
Incompressible Flow
The Reynolds Number
Non-Newtonian Flow: The Power Law and the Carreau Model
The Boussinesq Approximation
Theory for the Wall Boundary Condition
Prescribing Inlet and Outlet Conditions
Laminar Inflow
Laminar Outflow
Mass Flow
No Viscous Stress
Normal Stress Boundary Condition
Mass Sources for Fluid Flow
Numerical StabilityStabilization Techniques for Fluid Flow
Solvers for Laminar Flow
Pseudo Time Stepping for Laminar Flow Models
Discontinuous Galerkin Formulation
Particle Tracing in Fluid Flow
References for the Single-Phase Flow, Laminar Flow Interfaces
The theory about most boundary conditions is found in Ref. 2.
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CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
General Single-Phase Flow Theory
The Single-Phase Fluid Flow interfaces are based on the Navier-Stokes equations,
which in their most general form read
------ + ( u ) = 0
t
(3-4)
u
------- + ( u )u = [ pI + ] + F
t
(3-5)
T
T p
C p ------- + ( u )T = ( q ) + :S ---- ------- ------ + ( u )p + Q
t
T p t
(3-6)
where
is the density (SI unit: kg/m3)
u is the velocity vector (SI unit: m/s)
p is pressure (SI unit: Pa)
is the viscous stress tensor (SI unit: Pa)
F is the volume force vector (SI unit: N/m3)
Cp is the specific heat capacity at constant pressure (SI unit: J/(kgK))
T is the absolute temperature (SI unit: K)
q is the heat flux vector (SI unit: W/m2)
Q contains the heat sources (SI unit: W/m3)
S is the strain-rate tensor:
1
S = --- ( u + ( u ) T )
2
The operation : denotes a contraction between tensors defined by
a:b =
anm bnm
(3-7)
n m
This is sometimes referred to as the double dot product.
Equation 3-4 is the continuity equation and represents conservation of mass.
Equation 3-5 is a vector equation which represents conservation of momentum.
Equation 3-6 describes the conservation of energy, formulated in terms of
THEORY FOR THE SINGLE-PHASE FLOW INTERFACES
83
temperature. This is an intuitive formulation that facilitates boundary condition
specifications.
To close the equation system, Equation 3-4 through Equation 3-6, constitutive
relations are needed. For a Newtonian fluid, which has a linear relationship between
stress and strain, Stokes (Ref. 1) deduced the following expression:
2
= 2S --- ( u )I
3
(3-8)
The dynamic viscosity, (SI unit: Pas), for a Newtonian fluid is allowed to depend on
the thermodynamic state but not on the velocity field. All gases and many liquids can
be considered Newtonian. Examples of non-Newtonian fluids are honey, mud, blood,
liquid metals, and most polymer solutions. With the Microfluidics Module, you can
model flows of non-Newtonian fluids using the predefined power law and Carreau
models, which describe the dynamic viscosity for non-Newtonian [Link]
commonly used constitutive relations are Fouriers law of heat conduction and the
ideal gas law.
In theory, the same equations describe both laminar and turbulent flows. In practice,
however, the mesh resolution required to simulate turbulence with the Laminar Flow
interface makes such an approach impractical.
There are several books where derivations of the Navier-Stokes equations
and detailed explanations of concepts such as Newtonian fluids can be
found. See, for example, the classical text by Batchelor (Ref. 3) and the
more recent work by Panton (Ref. 4).
Many applications describe isothermal flows for which Equation 3-6 is decoupled from
Equation 3-4 and Equation 3-5.
2D AXISYMMETRIC FORMULATIONS
A 2D axisymmetric formulation of Equation 3-4 and Equation 3-5 requires to
be zero. That is, there must be no gradients in the azimuthal direction. A common
additional assumption is however that u=0. In such cases, the -equation can be
removed from Equation 3-5. The resulting system of equations is both easier to
converge and computationally less expensive compared to retaining the -equation.
The default 2D axisymmetric formulation of Equation 3-4 and Equation 3-5 therefore
assumes that
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CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
= 0
u = 0
Compressible Flow
The equations of motion for a single-phase fluid are the continuity equation:
------ + ( u ) = 0
t
(3-9)
u
2
------- + u u = p + ( u + ( u ) T ) --- ( u )I + F
t
3
(3-10)
and the momentum equation:
These equations are applicable for incompressible as well as compressible flow with
density variations.
The Mach Number Limit
An important dimensionless number in fluid dynamics is the Mach number, Ma,
defined by
u
Ma = ------a
where a is the speed of sound. A flow is formally incompressible when Ma = 0. This is
theoretically achieved by letting the speed of sound tend to infinity. The Navier-Stokes
equations then have the mathematical property that pressure disturbances are
instantaneously propagated throughout the entire domain. This results in a parabolic
equation system.
The momentum equation, Equation 3-10, is parabolic for unsteady flow and elliptic
for steady flow, whereas the continuity equation, Equation 3-9, is hyperbolic for both
steady and unsteady flow. The combined system of equations is thus hybrid
parabolic-hyperbolic for unsteady flow and hybrid elliptic-hyperbolic for steady flow.
An exception occurs when the viscous term in Equation 3-10 becomes vanishingly
small, such as at an outflow boundary, in which case the momentum equation becomes
locally hyperbolic. The number of boundary conditions to apply on the boundary then
depends on the number of characteristics propagating into the computational domain.
For the purely hyperbolic system, the number of characteristics propagating from the
THEORY FOR THE SINGLE-PHASE FLOW INTERFACES
85
boundary into the domain changes as the Mach number passes through unity. Hence,
the number of boundary conditions required to obtain a numerically well posed system
must also change. The compressible formulation of the laminar and turbulent
interfaces uses the same boundary conditions as the incompressible formulation, which
implies that the compressible interfaces are not suitable for flows with Mach number
larger than or equal to one.
The practical Mach number limit is lower than one, however. The main reason is that
the numerical scheme (stabilization and boundary conditions) of the Laminar Flow
interface does not recognize the direction and speed of pressure waves. The fully
compressible Navier-Stokes equations do, for example, start to display very sharp
gradients already at moderate Mach numbers. But the stabilization for the single-phase
flow interface does not necessarily capture these gradients. It is impossible to give an
exact limit where the low Mach number regime ends and the moderate Mach number
regime begins, but a rule of thumb is that the Mach number effects start to appear at
Ma = 0.3. For this reason the compressible formulation is referred to as Compressible
flow (Ma<0.3) in COMSOL Multiphysics.
Incompressible Flow
When the temperature variations in a flow are small, a single-phase fluid can often be
assumed incompressible; that is, is constant or nearly constant. This is the case for all
liquids under normal conditions and also for gases at low velocities. For constant ,
Equation 3-9 reduces to
u = 0
(3-11)
and Equation 3-10 becomes
u
T
+ ( u )u = [ pI + ( u + ( u ) ) ] + F
t
(3-12)
The Reynolds Number
A fundamental characteristic in analyses of fluid flow is the Reynolds number:
UL
Re = -----------
where U denotes a velocity scale, and L denotes a representative length. The Reynolds
number represents the ratio between inertial and viscous forces. At low Reynolds
86 |
CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
numbers, viscous forces dominate and tend to damp out all disturbances, which leads
to laminar flow. At high Reynolds numbers, the damping in the system is very low
giving small disturbances the possibility to grow by nonlinear interactions. If the
Reynolds number is high enough, the flow field eventually ends up in a chaotic state
called turbulence.
Observe that the Reynolds number can have different meanings depending on the
length scale and velocity scale. To be able to compare two Reynolds numbers, they
must be based on equivalent length and velocity scales.
The Fluid Flow interfaces automatically calculate the local cell Reynolds number
Rec = |u|h/(2) using the element length h for L and the magnitude of the velocity
vector u for the velocity scale U. This Reynolds number is not related to the character
of the flow field, but to the stability of the numerical discretization. The risk for
numerical oscillations in the solution increases as Rec grows. The cell Reynolds
number is a predefined quantity available for visualization and evaluation (typically it
is available as: [Link]).
Non-Newtonian Flow: The Power Law and the Carreau Model
The viscous stress tensor is directly dependent on the shear rate tensor and can be
written as:
2
= --- ( u )I
3
=
using the compressible and incompressible formulations. Here denotes the
strain-rate tensor defined by:
= ( u + ( u ) T )
Its magnitude, the shear rate, is:
= =
1
--- :
2
where the contraction operator : is defined by
a:b =
anm bnm
n m
THEORY FOR THE SINGLE-PHASE FLOW INTERFACES
87
For a non-Newtonian fluid, the dynamic viscosity is assumed to be a function of the
shear rate:
= ()
The Laminar Flow interfaces have the following predefined models to prescribe a
non-Newtonian viscositythe power law and the Carreau model.
POWER LAW
The power law model is an example of a generalized Newtonian model. It prescribes
= m n 1
(3-13)
where m and n are scalars that can be set to arbitrary values. For n > 1, the power law
describes a shear thickening (dilatant) fluid. For n < 1, it describes a shear thinning
(pseudoplastic) fluid. A value of n equal to one gives the expression for a Newtonian
fluid.
Equation 3-13 predicts an infinite viscosity at zero shear rate for n < 1. This is however
never the case physically. Instead, most fluids have a constant viscosity for shear rates
smaller than 10-2 s-1 (Ref. 16). Since infinite viscosity also makes models using
Equation 3-13 difficult to solve, COMSOL Multiphysics implements the power law
model as
= mmax ( , min ) n 1
(3-14)
where min is a lower limit for the evaluation of the shear rate magnitude. The default
value for min is 10-2 s-1, but can be given an arbitrary value or expression using the
corresponding text field.
CARREAU MODEL
The Carreau model defines the viscosity in terms of the following four-parameter
expression
(n 1)
---------------- = + ( 0 inf ) [ 1 + ( ) 2 ] 2
(3-15)
where is a parameter with the unit of time, 0 is the zero shear rate viscosity, inf is
the infinite shear-rate viscosity, and n is a dimensionless parameter. This expression is
able to describe the viscosity for most stationary polymer flows.
88 |
CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
The Boussinesq Approximation
The Boussinesq approximation is a way to treat certain simple cases of buoyant flows
without having to use a compressible formulation of the Navier-Stokes equations.
The Boussinesq approximation assumes that variations in density have no effect on the
flow field except that they give rise to buoyancy forces. The density is assigned a
reference value, 0, everywhere except in the body force term, which is set to
F = ( 0 + )g
(3-16)
where g is the gravity vector. A further simplifications is often possible. Since g can be
written in terms of a potential, , it is possible to write Equation 3-16 as:
F = ( 0 ) + g
The first part can be canceled out by splitting the true pressure, p, into a hydrodynamic
component, P, and a hydrostatic component, 0. Equation 3-11 and
Equation 3-12 are expressed in terms of the hydrodynamic pressure P = p + 0:
u = 0
(3-17)
u
0 ------- + ( 0 u )u = P + ( ( u + ( u ) T ) ) + g
t
(3-18)
To obtain the Boussinesq approximation in this form, enter the expression for g for
the Wall feature.
In practice, the shift from p to P can be ignored except where the pressure appears in
boundary conditions. The pressure that is specified at boundaries is the hydrodynamic
pressure in this case. For example, on a vertical outflow or inflow boundary, the
hydrodynamic pressure is typically a constant, while the true pressure is a function of
the vertical coordinate.
The system that Equation 3-17 and Equation 3-18 form has its limitations. The main
assumption is that the density fluctuations must be small; that is, /0 << 1. There are
also some more subtle constraints that, for example, make the Boussinesq
approximation unsuitable for systems of very large dimensions. An excellent discussion
of the Boussinesq approximation and its limitations appears in Chapter 14 of Ref. 10.
Theory for the Wall Boundary Condition
See Wall for the node settings.
THEORY FOR THE SINGLE-PHASE FLOW INTERFACES
89
SLIP
The Slip condition assumes that there are no viscous effects at the slip wall and hence,
no boundary layer develops. From a modeling point of view, this is a reasonable
approximation if the important effect of the wall is to prevent fluid from leaving the
domain. Mathematically, the constraint can be formulated as:
u n = 0,
( pI + ( u + ( u ) T ) )n = 0
The no penetration term takes precedence over the Neumann part of the condition
and the above expression is therefore equivalent to
u n = 0,
K ( K n )n = 0
K = ( u + ( u ) T )n
expressing that there is no flow across the boundary and no viscous stress in the
tangential direction.
The boundary condition for is n = 0 .
SL ID IN G WAL L
The Sliding Wall boundary condition is appropriate if the wall behaves like a conveyor
belt; that is, the surface is sliding in its tangential direction. The wall does not have to
actually move in the coordinate system.
In 2D, the tangential direction is unambiguously defined by the direction of the
boundary, but the situation becomes more complicated in 3D. For this reason, this
boundary condition has slightly different definitions in the different space
dimensions.
For 2D and 2D axisymmetric components, the velocity is given as a scalar Uw and
the condition prescribes
u n = 0,
u t = Uw
where t = (ny, nx) for 2D and t = (nz, nr) for axial symmetry.
For 3D components, the velocity is set equal to a given vector uw projected onto
the boundary plane:
u w ( n u w )n
u = -------------------------------------------- u w
u w ( n u w )n
The normalization makes u have the same magnitude as uw even if uw is not exactly
parallel to the wall.
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CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
S L I P VE L O C I T Y
In the microscale range, the flow at a boundary is seldom strictly no slip or slip.
Instead, the boundary condition is something in between, and there is a slip velocity
at the boundary. Two phenomena account for this velocity: violation of the continuum
hypothesis for the viscosity and flow induced by a thermal gradient along the
boundary.
The following equation relates the viscosity-induced jump in tangential velocity to the
tangential shear stress along the boundary:
1
u = --- n, t
For gaseous fluids, the coefficient is given by
= ------------------------2
v
--------------
v
where is the fluids dynamic viscosity (SI unit: Pas), v represents the tangential
momentum accommodation coefficient (TMAC) (dimensionless), and is the
molecules mean free path (SI unit: m). The tangential accommodation coefficients are
typically in the range of 0.85 to 1.0 and can be found in Ref. 15.
A simpler expression for is
= -----Ls
where Ls, the slip length (SI unit: m), is a straight channel measure of the distance
from the boundary to the virtual point outside the flow domain where the flow profile
extrapolates to zero. This equation holds for both liquids and gases.
Thermal creep results from a temperature gradient along the boundary. The following
equation relates the thermally-induced jump in tangential velocity to the tangential
gradient of the natural logarithm of the temperature along the boundary:
u = T --- t log T
where T is the thermal slip coefficient (dimensionless) and is the density of the fluid.
The thermal slip coefficients range between 0.3 and 1.0 and can be found in Ref. 15.
Combining the previous relationships results in the following equation:
THEORY FOR THE SINGLE-PHASE FLOW INTERFACES
91
Ls
u u w, t = ------ n, t + T ------- t T
T
Relate the tangential shear stress to the viscous boundary force by
n, t = K ( n K )n
where the components of K are the Lagrange multipliers that are used to implement
the boundary condition. Similarly, the tangential temperature gradient results from the
difference of the gradient and its normal projection:
t T = T ( n T )n
Use Viscous Slip
When viscous slip is used, select Maxwells model to calculate Ls using:
2 v
L s = ---------------
v
Also see Wall for the node settings.
E L E C T R O O S M O T I C VE L O C I T Y
Most solid surfaces acquire a surface charge when brought into contact with an
electrolyte. In response to the spontaneously formed surface charge, a charged
solution forms close to the liquid-solid interface. This is known as an electric double
layer. If an electric field is applied to the fluid, this very narrow layer starts to move
along the boundary.
It is possible to model the fluids velocity near the boundary using the
Helmholtz-Smoluchowski relationship between the electroosmotic velocity u and the
applied electric field:
u = eo E t
where eo is the electroosmotic mobility and Et is the fluid electric field tangential to
the wall.
Built-in Expression
Use the Electroosmotic mobility eo (SI unit: m2/(sV)) Built-in expression to
compute the electroosmotic mobility from:
eo = r 0 --
92 |
CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
(3-19)
Here r is the fluids relative permittivity, 0 the permittivity of free space
(SI unit F/m), which is a predefined physical constant, is the fluids zeta potential
(SI unit: V), and the fluids dynamic viscosity (Pas). Typically eo710-8m2/(sV)
and 100 mV (see H. Bruus, Theoretical Microfluidics, Oxford University Press,
2008). See Wall for the node settings.
Electro-osmotic Micromixer: Application Library path
Microfluidics_Module/Micromixers/electroosmotic_mixer
Prescribing Inlet and Outlet Conditions
The Navier-Stokes equations can show large variations in mathematical behavior,
ranging from almost completely elliptic to almost completely hyperbolic. This has
implications when it comes to prescribing admissible boundary conditions. There is
also a discrepancy between mathematically valid boundary conditions and practically
useful boundary conditions. See Inlet and Outlet for the node settings.
INLET CONDITIONS
An inlet requires specification of the velocity components. The most robust way to do
this is to prescribe a velocity field using a Velocity condition.
A common alternative to prescribing the complete velocity field is to prescribe a
pressure and all but one velocity component. The pressure cannot be specified
pointwise since this is a mathematically over-constraining. Instead the pressure can be
specified via a stress condition:
u n
p + 2 --------- = F n
n
(3-20)
where un/n is the normal derivative of the normal velocity component.
Equation 3-20 is prescribed by the Pressure condition in the Inlet and Outlet features
and the Normal stress condition in the Open Boundary and Boundary Stress features.
Equation 3-20 is mathematically more stringent compared to specifying the pressure
pointwise, can at the same time not guarantee that p obtains the desired value. In
practice, p is close to Fn, except for low Reynolds number flows where viscous effects
are the only effects that balance the pressure. In addition to Equation 3-20, all but one
velocity component must be specified. For low Reynolds numbers, this can be specified
by a vanishing tangential stress condition:
THEORY FOR THE SINGLE-PHASE FLOW INTERFACES
93
u t
-------- = 0
n
which is what the Normal stress condition does. Vanishing tangential stress becomes a
less well posed inlet condition as the Reynolds number increases. The Pressure
condition in the Inlet feature therefore requires a flow direction to be prescribed which
provides a well-posed condition independent of Reynolds number.
OUTLET CONDITIONS
The most common approach is to prescribe a pressure via a normal stress condition on
the outlet. This is often accompanied by a vanishing tangential stress condition:
u t
-------- = 0
n
where ut/n is the normal derivative of the tangential velocity field. It is also possible
to prescribe ut to be zero. The latter option should be used with care since it can have
a significant effect on the upstream solution.
The elliptic character of the Navier-Stokes equations mathematically permit specifying
a complete velocity field at an outlet. This can however be difficult to apply in practice.
The reason being that it is hard to prescribe the outlet velocity so that it at each point
is consistent with the interior solution. The adjustment to the specified velocity then
occurs across an outlet boundary layer. The thickness of this boundary layer depends
on the Reynolds number; the higher the Reynolds number, the thinner the boundary
layer.
ALTERNATIVE FORMULATIONS
COMSOL provides several specialized boundary conditions that either provide
detailed control over the flow at the boundary or that simulate specific devices. In
practice they often prescribe a velocity or a pressure, but calculate the prescribed values
using for example ODEs.
Normal Stress Boundary Condition
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CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
Laminar Inflow
In order to prescribe a fully developed inlet velocity profile, this boundary condition
adds a weak form contribution and constraints corresponding to unidirectional flow
perpendicular to the boundary. The applied condition corresponds to the situation
shown in Figure 3-1: a fictitious domain of length Lentr is assumed to be attached to
the inlet of the computational domain. The domain is an extrusion of the inlet
boundary, which means that laminar inflow requires the inlet to be flat. The boundary
condition uses the assumption that the flow in this fictitious domain is fully developed
laminar flow. The wall boundary conditions for the fictitious domain is inherited
from the real domain, , unless the option to constrain outer edges or endpoints to
zero is selected in which case the fictitious walls are no-slip walls.
pentr
Lentr
Figure 3-1: An example of the physical situation simulated when using the Laminar
inflow boundary condition. is the actual computational domain while the dashed
domain is a fictitious domain.
If an average inlet velocity or inlet volume flow is specified instead of the pressure,
COMSOL Multiphysics adds an ODE that calculates a pressure, pentr, such that the
desired inlet velocity or volume flow is obtained.
Laminar Outflow
In order to prescribe an outlet velocity profile, this boundary condition adds a weak
form contribution and constraints corresponding to unidirectional flow perpendicular
to the boundary. The applied condition corresponds to the situation shown in
Figure 3-2: assume that a fictitious domain of length Lexit is attached to the outlet of
the computational domain. The domain is an extrusion of the outlet boundary, which
means that laminar outflow requires the outlet to be flat. The boundary condition uses
the assumption that the flow in this fictitious domain is fully developed laminar flow.
The wall boundary conditions for the fictitious domain is inherited from the real
THEORY FOR THE SINGLE-PHASE FLOW INTERFACES
95
domain, , unless the option to constrain outer edges or endpoints to zero is selected
in which case the fictitious walls are no-slip walls.
pexit
Lexit
Figure 3-2: An example of the physical situation simulated when using the Laminar
outflow boundary condition. is the actual computational domain while the dashed
domain is a fictitious domain.
If the average outlet velocity or outlet volume flow is specified instead of the pressure,
the software adds an ODE that calculates pexit such that the desired outlet velocity or
volume flow is obtained.
Mass Flow
The Mass Flow boundary condition constrains the mass flowing into the domain across
an inlet boundary. The mass flow can be specified in a number of ways.
POINTWISE MASS FLUX
The pointwise mass flux sets the velocity at the boundary to:
mf
u = ------- n
where mf is the normal mass flux and is the density.
MASS FLOW RATE
The mass flow rate boundary condition sets the total mass flow through the boundary
according to:
dbc ( u n ) dS = m
where dbc (only present in the 2D Cartesian axis system) is the boundary thickness
normal to the fluid-flow domain and m is the total mass flow rate.
In addition to the constraint on the total flow across the boundary, the tangential
velocity components are set to zero on the boundary
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CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
un = 0
(3-21)
STANDARD FLOW RATE
The standard flow rate boundary condition specifies the mass flow as a standard
volumetric flow rate. The mass flow through the boundary is set by the equation:
( u n ) dS = Q sv
dbc ------ st
where dbc (only present in the 2D component Cartesian axis system) is the boundary
thickness normal to the fluid-flow domain, st is the standard density, and Qsv is the
standard flow rate. The standard density is defined by one of the following equations:
Mn
st = -------Vn
p st M n
st = ----------------RT st
where Mn is the mean molar mass of the fluid, Vn is the standard molar volume, pst is
the standard pressure, R is the universal molar gas constant, and Tst is the standard
temperature.
Equation 3-21 or Equation 3-22 is also enforced for compressible and incompressible
flow, respectively, ensuring that the normal component of the viscous stress and the
tangential component of the velocity are zero at the boundary.
No Viscous Stress
For this module, and in addition to the Pressure, No Viscous Stress boundary
condition, the viscous stress condition sets the viscous stress to zero:
( u + ( u ) T ) 2
--- ( u )I n = 0
3
( ( u + ( u ) T ) )n = 0
using the compressible and the incompressible formulation, respectively.
THEORY FOR THE SINGLE-PHASE FLOW INTERFACES
97
The condition is not a sufficient outlet condition since it lacks information about the
outlet pressure. It must hence be combined with pressure point constraints on one or
several points or lines surrounding the outlet.
This boundary condition is numerically the least stable outlet condition, but can still
be beneficial if the outlet pressure is nonconstant due to, for example, a nonlinear
volume force.
Normal Stress Boundary Condition
The total stress on the boundary is set equal to a stress vector of magnitude f0, oriented
in the negative normal direction:
pI + ( u + ( u ) T ) 2
--- ( u )I n = f 0 n
3
( pI + ( u + ( u ) T ) )n = f 0 n
using the compressible and the incompressible formulation, respectively.
This implies that the total stress in the tangential direction is zero. This boundary
condition implicitly sets a constraint on the pressure which for 2D flows is
u n
p = 2 ---------- + f 0
n
(3-22)
If un/n is small, Equation 3-22 states that p f0.
The Normal Stress condition is the mathematically correct version of the Pressure
Conditions condition (Ref. 4), but it is numerically less stable.
Pressure Boundary Condition
For single-phase flow, a mathematically correct natural boundary condition for outlets
is
pI + ( u + ( u ) T ) 2
--- ( u )I n = p 0 n
(3-23)
( pI + ( u + ( u ) T ) )n = p 0 n
(3-24)
using the compressible and the incompressible formulation, respectively.
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CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
This is a normal stress condition together with a no-tangential-stress condition. When
> 0 Equation 3-23 or Equation 3-24 can be supplemented with a tangential velocity
condition
ut = 0
(3-25)
If so, the no-tangential-stress condition is overridden. An issue with Equation 3-23 or
Equation 3-24 is that it does not strongly enforce unidirectional flow on the boundary.
If the prescribed pressure on an outlet is too high, parts of the outlet can actually have
inflow. This is not as much of an issue for the Navier-Stokes equations as it is an issue
for scalar transport equations solved along with the Navier-Stokes equations. Hence,
when applying the Pressure boundary condition at an outlet or inlet you can further
constrain the flow. With the Suppress backflow option
pI + ( u + ( u ) T ) 2
--- ( u )I n = p 0 n
3
( pI + ( u + ( u ) T ) )n = p 0 n
p p
0
(3-26)
the normal stress is adjusted to keep
un0
(3-27)
Equation 3-26 effectively means that the prescribed pressure is p0 if un 0, but
smaller at locations where un < 0. This means that Equation 3-26 does not completely
prevent backflow, but the backflow is substantially reduced.
A pressure condition can also be applied at an inlet. In this case, either the normal stress
is prescribed
2
T
n pI + ( u + ( u ) T ) --- ( u )I n = p 0
3
T
n ( pI + ( u + ( u ) T ) )n = p 0
p p
0
(3-28)
together with the tangential condition in Equation 3-25, or, a general flow direction
is prescribed.
THEORY FOR THE SINGLE-PHASE FLOW INTERFACES
99
T pI + ( u + ( u ) T ) 2
--- ( u )I n = p 0 ( r n )
ru
u
3
(r n)
T ( pI + ( u + ( u ) T ) )n = p
ru
0 u
p p
0
(3-29)
du
u ( u r u )r u = 0, r u = ------------du
The > option is used with suppress backflow to have u n 0 or u r u 0 .
See Inlet, Outlet, Open Boundary, and No Viscous Stress for the individual node
settings. Note that some modules have additional theory sections describing options
available with that module.
Mass Sources for Fluid Flow
There are two types of mass sources in a Single-Phase Flow interface: point sources and
line sources.
These features require at least one of the following licenses: Batteries and
Fuel Cells Module, CFD Module, Chemical Reaction Engineering
Module, Corrosion Module, Electrochemistry Module,
Electrodeposition Module, Microfluidics Module, Pipe Flow Module, or
Subsurface Flow Module.
POINT SOURCE
A point source is theoretically formed by taking a mass injection/ejection, Q (SI unit:
kg/(m3s)), in a small volume V and then letting the size of the volume tend to zero
while keeping the total mass flux constant. Given a point source strength, q p (SI unit:
kg/s), this can be expressed as
lim
V 0
Q = qp
(3-30)
An alternative way to form a point source/sink is to assume that mass is
injected/extracted through the surface of a small object. Letting the object surface
area tend to zero while keeping the mass flux constant, results in the same point source.
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CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
For this alternative approach, effects resulting from the physical object volume, such
as drag and fluid displacement, need to be neglected.
The weak contribution
q p test ( p )
is added to a point in the geometry. As can be seen from Equation 3-30, Q must tend
to plus or minus infinity as V tends to zero. This means that in theory the pressure
also tends to plus or minus infinity.
Observe that point refers to the physical representation of the source. A point source
can therefore only be added to points in 3D components and to points on the
symmetry axis in 2D axisymmetry components. Other geometrical points in 2D
components represent physical lines.
The finite element representation of Equation 3-30 corresponds to a finite pressure in
a point with the effect of the point source spread out over a region around the point.
The size of the region depends on the mesh and on the strength of the source. A finer
mesh gives a smaller affected region, but also a more extreme pressure value. It is
important not to mesh too finely around a point source since the resulting pressure can
result in unphysical values for the density, for example. It can also have a negative effect
on the condition number for the equation system.
LINE SOURCE
A line source can theoretically be formed by assuming a source of strength Q (SI unit:
kg/(m3s)), located within a tube with cross-section area S and then letting S tend
to zero while keeping the total mass flux per unit length constant. Given a line source
strength, q l (SI unit: kg/(ms)), this can be expressed as
lim
S 0
= q l
(3-31)
As in the point source case, an alternative approach is to assume that mass is
injected/extracted through the surface of a small object. This results in the same mass
source, but requires that effects on the fluid resulting from the physical object volume
are neglected.
The weak contribution
q l test ( p )
THEORY FOR THE SINGLE-PHASE FLOW INTERFACES
101
is added to lines in 3D or to points in 2D (which represent cut-through views of lines).
Line sources can also be added to the axisymmetry line in 2D axisymmetry
components. It cannot, however, be added to geometrical lines in 2D because they
represent physical planes.
As with a point source, it is important not to mesh too finely around the line source.
For feature node information, see Line Mass Source and Point Mass
Source in the COMSOL Multiphysics Reference Manual.
For the Reacting Flow in Porous Media, Diluted Species interface, which
is available with the CFD Module, Chemical Reaction Engineering
Module, or Batteries & Fuel Cells Module, these shared physics nodes are
renamed as follows:
The Line Mass Source node is available as two nodes, one for the fluid
flow (Fluid Line Source) and one for the species (Species Line Source).
The Point Mass Source node is available as two nodes, one for the fluid
flow (Fluid Point Source) and one for the species (Species Point Source).
Numerical StabilityStabilization Techniques for Fluid Flow
The momentum equation (Equation 3-10 or Equation 3-12) is a (nonlinear)
convection-diffusion equation. Such equations can easily become unstable if
discretized using the Galerkin finite element method. Stabilized finite element
methods are usually necessary in order to obtain physical solutions. The stabilization
settings are found in the main Fluid Flow interface features. To display this section,
) and select Stabilization.
click the Show button (
There are three types of stabilization methods available for Navier-Stokesstreamline
diffusion, crosswind diffusion, and isotropic diffusion. Streamline diffusion and
crosswind diffusion are consistent stabilization methods, whereas isotropic diffusion is
an inconsistent stabilization method.
For optimal functionality, the exact weak formulations of and constants in the
streamline diffusion and crosswind diffusion methods depend on the order of the
shape functions (basis functions) for the elements. The values of constants in the
streamline diffusion and crosswind diffusion methods follow Ref. 5 and Ref. 6.
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CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
STREAMLINE DIFFUSION
For strongly coupled systems of equations, the streamline diffusion method must be
applied to the system as a whole rather than to each equation separately. These ideas
were first explored by Hughes and Mallet (Ref. 7) and were later extended to Galerkin
least-squares (GLS) applied to the Navier-Stokes equations (Ref. 8). This is the
streamline diffusion formulation that COMSOL Multiphysics supports. The time-scale
tensor is the diagonal tensor presented in Ref. 9.
Streamline diffusion is active by default because it is necessary when convection is
dominating the flow.
The governing equations for incompressible flow are subject to the Babuska-Brezzi
condition, which states that the shape functions (basis functions) for pressure must be
of lower order than the shape functions for velocity. If the incompressible
Navier-Stokes equations are stabilized by streamline diffusion, it is possible to use
equal-order interpolation. Hence, streamline diffusion is necessary when using
first-order elements for both velocity and pressure. This applies also if the model is
solved using geometric multigrid (either as a solver or as a preconditioner) and at least
one multigrid hierarchy level uses linear Lagrange elements.
CROSSWIND DIFFUSION
Crosswind diffusion can also be formulated for systems of equations, and when applied
to the Navier-Stokes equations it becomes a shock-capturing operator. COMSOL
Multiphysics supports the formulation in Ref. 8 with a shock capturing viscosity of the
Hughes-Mallet type Ref. 7.
Incompressible flows do not contain shock waves, but crosswind diffusion is still useful
for introducing extra diffusion in sharp boundary layers and shear layers that otherwise
would require a very fine mesh to resolve.
Crosswind diffusion is active by default as it makes it easier to obtain a solution even if
the problem is fully resolved by the mesh. Crosswind diffusion also enables the iterative
solvers to use inexpensive presmoothers. If crosswind diffusion is deactivated, more
expensive preconditioners must be used instead.
THEORY FOR THE SINGLE-PHASE FLOW INTERFACES
103
ISOTROPIC DIFFUSION
Isotropic diffusion adds diffusion to the Navier-Stokes equations. Isotropic diffusion
significantly reduces the accuracy of the solution but does a very good job at reducing
oscillations. The stability of the continuity equation is not improved.
Numerical Stabilization and Iterative in the COMSOL Multiphysics
Reference Manual
Solvers for Laminar Flow
The Navier-Stokes equations constitute a nonlinear equation system. A nonlinear
solver must hence be applied to solve the problem. The nonlinear solver iterates to
reach the final solution. In each iteration, a linearized version of the nonlinear system
is solved using a linear solver. In the time-dependent case, a time marching method
must also be applied. The default suggestions for each of these solver elements are
discussed below.
NONLINEAR SOLVER
The nonlinear solver method depends on if the model solves a stationary or a
time-dependent problem.
Stationary Solver
In the stationary case, a fully coupled, damped Newton method is applied. The initial
damping factor is low since a full Newton step can be harmful unless the initial values
are close to the final solution. The nonlinear solver algorithm automatically regulates
the damping factor in order to reach a converged solution.
For advanced models, the automatically damped Newton method might not be robust
enough. A pseudo time-stepping algorithm can then be invoked. See Pseudo Time
Stepping for Laminar Flow Models.
Time-Dependent Solver
In the time-dependent case, the initial guess for each time step is (loosely speaking) the
previous time step, which is a very good initial value for the nonlinear solver. The
automatic damping algorithm is then not necessary. The damping factor in the
Newton method is instead set to a constant value slightly smaller than one. Also, for
the same reason, it suffices to update the Jacobian once per time-step.
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CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
It is seldom worth the extra computational cost to update the Jacobian more than once
per time step. For most models it is more efficient to restrict the maximum time step
or possibly lower the damping factor in the Newton method.
LINEAR SOLVER
The linearized Navier-Stokes equation system has saddle point character, unless the
density depends on the pressure. This means that the Jacobian matrix has zeros on the
diagonal. Even when the density depends on the pressure the equation system
effectively shares many numerical properties with a saddle point system.
For small 2D and 3D models, the default solver suggestion is a direct solver. Direct
solvers can handle most nonsingular systems and are very robust and also very fast for
small models. Unfortunately, they become slow for large models and their memory
requirement scales as somewhere between N1.5and N2, where N is the number of
degrees of freedom in the model. The default suggestion for large 2D and 3D models
is therefore the iterative GMRES solver. The memory requirement for an iterative
solver optimally scales as N.
Geometric Multigrid (GMG) is used to accelerate GMRES. GMG needs smoothers
but the saddle point character of the linear system restricts the number of applicable
smoothers. The choices are further restricted by the anisotropic meshes frequently
encountered in fluid-flow problems. Pointwise smoothers, such as SOR, are not very
efficient on anisotropic meshes.
The efficiency of the smoothers is highly dependent on the numerical stabilization.
Iterative solvers perform at their best when both Streamline Diffusion and Crosswind
Diffusion are active.
The default smoother for P1+P1 elements is SCGS. This is an efficient and robust
smoother specially designed to solve saddle point systems on meshes that contain
anisotropic elements. The SCGS smoother works well even without crosswind
diffusion. SCGS can sometimes work for higher-order elements, especially if Method in
the SCGS settings is set to Mesh element lines. But there is no guarantee for this, so the
default smoother for P2+P1 elements and P3+P2 elements is an SOR Line smoother.
SOR Line handles mesh anisotropy but does not formally address the saddle point
character. It does, however, function in practice provided that streamline diffusion and
crosswind diffusion are both active.
A different kind of saddle point character can arise if the equation system contains
ODE variables. Some advanced boundary conditions can add equations with such
variables. These variables must be treated with the Vanka algorithm. SCGS includes an
THEORY FOR THE SINGLE-PHASE FLOW INTERFACES
105
option to invoke Vanka. Models with higher-order elements must apply SCGS or use
the Vanka smoother. The latter is the default suggestion for higher-order elements, but
it does not work optimally for anisotropic meshes.
TIME-DEPENDENT SOLVERS
The default time-dependent solver for Navier-Stokes is the BDF method with
maximum order set to two. Higher BDF orders are not stable for transport problems
in general nor for Navier-Stokes in particular.
BDF methods have been used for a long time and are known for their stability.
However, they can have severe damping effects, especially the lower-order methods.
Hence, if robustness is not an issue, a model can benefit from using the generalized-
method instead. Generalized- is a solver which has properties similar to those of the
second-order BDF solver but it is much less diffusive.
Both BDF and generalized- are per default set to automatically adjust the time step.
While this works well for many models, extra efficiency and accuracy can often be
gained by specifying a maximum time step. It is also often beneficial to specify an initial
time step to make the solver progress smoothly in the beginning of the time series.
In the COMSOL Multiphysics Reference Manual:
Time-Dependent Solver
Multigrid, Direct, Iterative, SCGS, SOR Line, and Vanka
Stationary Solver
Pseudo Time Stepping for Laminar Flow Models
A stationary formulation has per definition no time derivatives and Equation 3-12
reduces to:
T
( u )u = [ pI + ( u + ( u ) ) ] + F
(3-32)
Solving Equation 3-32 requires a starting guess that is close enough to the final
solution. If no such guess is at hand, the fully transient problem can be solved instead.
This is, however, a rather costly approach in terms of computational time. An
intermediate approach is to add a fictitious time derivative to Equation 3-32:
T
u nojac ( u )
--------------------------------- + ( u )u = [ pI + ( u + ( u ) ) ] + F
t
106 |
CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
where t is a pseudo time step. Since unojac(u) is always zero, this term does not
affect the final solution. It does, however, affect the discrete equation system and
effectively transforms a nonlinear iteration into a step of size t of a time-dependent
solver.
Pseudo time stepping is not active per default. The pseudo time step t can be chosen
individually for each element based on the local CFL number:
h
t = CFL loc ------u
where h is the mesh cell size. A small CFL number means a small time step. It is
practical to start with a small CFL number and gradually increase it as the solution
approaches steady state.
If the automatic expression for CFLloc is set to the built-in variable CFLCMP. The
automatic setting then suggests a PID regulator for the pseudo time step in the default
solver. The PID regulator starts with a small CFL number and increases CFLloc as the
solution comes closer to convergence.
The default manual expression is
1.3 min ( niterCMP, 9 ) +
if ( niterCMP > 20, 9 1.3 min ( niterCMP 20, 9 ), 0 ) +
if ( niterCMP > 40, 90
1.3 min ( niterCMP 40, 9 ),
(3-33)
0)
The variable niterCMP is the nonlinear iteration number. It is equal to one for the first
nonlinear iteration. CFLloc starts at 1.3 and increases by 30% each iteration until it
reaches 1.3 9 10.6 . It remains there until iteration number 20 at which it starts to
increase until it reaches approximately 106. A final increase after iteration number 40
then takes it to 1060. Equation 3-33 can for some advanced flows increase CFLloc too
slowly or too quickly. CFLloc can then be tuned for the specific application.
For details about the CFL regulator, see Pseudo Time Stepping in the
COMSOL Multiphysics Reference Manual.
THEORY FOR THE SINGLE-PHASE FLOW INTERFACES
107
Discontinuous Galerkin Formulation
Some boundary conditions are implemented using a discontinuous Galerkin
formulation. These boundary conditions include
Wall Slip
Periodic Flow Condition
Flow Continuity
The formulation used in the Fluid Flow interfaces in COMSOL Multiphysics is the
Symmetric Interior Penalty Galerkin method (SIPG). The SIPG method can be
regarded to satisfy the boundary conditions in an integral sense rather than pointwise.
More information on SIPG can be found in Ref. 13.
In particular, the SIPG formulation includes a penalty parameter that must be large
enough for the formulation to be coercive. The higher the value, the better the
boundary condition is fulfilled, but a too high value results in an ill-conditioned
equation system. The penalty parameter in COMSOL is implemented according to
Ref. 14.
Particle Tracing in Fluid Flow
The Particle Tracing Module is available to assist with these types of modeling
problems.
It is possible to model particle tracing with COMSOL Multiphysics provided that the
impact of the particles on the flow field is negligible. First compute the flow field, and
then, as an analysis step, calculate the motion of the particles. The motion of a particle
is defined by Newtons second law
2
d x
dx
= F t, x,
dt
dt2
where x is the position of the particle, m the particle mass, and F is the sum of all forces
acting on the particle. Examples of forces acting on a particle in a fluid are the drag
force, the buoyancy force, and the gravity force. The drag force represents the force
that a fluid exerts on a particle due to a difference in velocity between the fluid and the
particle. It includes the viscous drag, the added mass, and the Basset history term.
Several empirical expressions have been suggested for the drag force. One of those is
the one proposed by Khan and Richardson (Ref. 11). That expression is valid for
108 |
CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
spherical particles for a wide range of particle Reynolds numbers. The particle
Reynolds number is defined as
u u p 2r
Re p = -----------------------------
where u is the velocity of the fluid, up the particle velocity, r the particle radius, the
fluid density, and the dynamic viscosity of the fluid. The empirical expression for the
drag force according to Khan and Richardson is
2
-0.31
F = r u u p ( u u p ) [ 1.84Re p
+ 0.293Re p0.06 ]
3.45
The model Flow Past a Cylinder (Application Library path
COMSOL_Multiphysics/Fluid_Dynamics/cylinder_flow) demonstrates how to
add and set up particle tracing in a plot group using the Particle Tracing
with Mass node. It uses the predefined Khan-Richardson model for the
drag force and neglects gravity and buoyancy forces.
References for the Single-Phase Flow, Laminar Flow Interfaces
1. G.G. Stokes, Trans. Camb. Phil. Soc., 8, 287-305, 1845
2. P.M. Gresho and R.L. Sani, Incompressible Flow and the Finite Element Method,
Volume 2: Isothermal Laminar Flow, John Wiley & Sons, 2000.
3. G.K. Batchelor, An Introduction To Fluid Dynamics, Cambridge University Press,
1967.
4. R.L. Panton, Incompressible Flow, 2nd ed., John Wiley & Sons, 1996.
5. I. Harari and T.J.R. Hughes, What are C and h? Inequalities for the Analysis and
Design of Finite Element Methods, Comp. Meth. Appl. Mech. Engrg, vol. 97,
pp. 157192, 1992.
6. Y. Bazilevs, V.M. Calo, T.E. Tezduyar, and T.J.R. Hughes, YZ Discontinuity
Capturing for Advection-dominated Processes with Application to Arterial Drug
Delivery, [Link]. Meth. Fluids, vol. 54, pp. 593608, 2007.
7. T.J.R. Hughes and M. Mallet, A New Finite Element Formulation for
Computational Fluid Dynamics: III. The Generalized Streamline Operator for
THEORY FOR THE SINGLE-PHASE FLOW INTERFACES
109
Multidimensional Advective-Diffusive System, Comp. Meth. Appl. Mech. Engrg,
vol. 58, pp. 305328, 1986.
8. G. Hauke and T.J.R. Hughes, A Unified Approach to Compressible and
Incompressible Flows, Comp. Meth. Appl. Mech. Engrg, vol. 113, pp. 389395,
1994.
9. G. Hauke, Simple Stabilizing Matrices for the Computation of Compressible Flows
in Primitive Variables, Comp. Meth. Appl. Mech. Engrg, vol. 190, pp. 68816893,
2001.
10. D.J. Tritton, Physical Fluid Dynamics, 2nd ed., Oxford University Press, 1988.
11. J.M. Coulson and J.F. Richardson, Particle Technology and Separation
Processes, Chemical Engineering, Volume 2, Butterworth-Heinemann, 2002.
12. J.L. Guermond, P. Minev, and J. Shen, An overview of projection methods for
incompressible flows, Comp. Meth. Appl. Mech. Engrg, vol. 195, pp. 60116045,
2006.
13. B. Rivire, Discontinuous Galerkin Methods for Solving Elliptic and Parabolic
Equations, SIAM, 2008.
14. Y. Epshteyn and B. Rivire, Estimation of penalty parameters for symmetric
interior penalty Galerkin methods, J. Computational and Applied Mathematics,
vol. 206, pp. 843872, 2007.
15. G. Kariadakis, A. Beskok, and N. Aluru, Microflows and Nanoflows, Springer
Science and Business Media, 2005.
16. R.P. Chhabra and J.F. Richardson, Non-Newtonian Flow and Applied Rheology,
2nd ed., Elsivier, 2008.
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CHAPTER 3: SINGLE-PHASE FLOW INTERFACES
Multiphase Flow, Two-Phase Flow
Interfaces
There are several Fluid Flow interfaces available with the Microfluidics Module.
) when adding a
These are found under the Fluid Flow>Multiphase Flow branch (
physics interface. See Modeling Microfluidic Fluid Flows to help select the physics
interface to use.
In this chapter:
The Laminar Two-Phase Flow, Level Set and Laminar Two-Phase Flow, Phase
Field Interfaces
The Laminar Two-Phase Flow, Moving Mesh Interface
Theory for the Level Set and Phase Field Interfaces
Theory for the Two Phase Flow Moving Mesh Interface
111
The Laminar Two-Phase Flow, Level
Set and Laminar Two-Phase Flow,
Phase Field Interfaces
This section includes the following topics:
The Laminar Two-Phase Flow, Level Set Interface
The Laminar Two-Phase Flow, Phase Field Interface
Domain, Boundary, Point, and Pair Nodes for the Laminar and Turbulent Flow,
Two-Phase, Level Set and Phase Field Interfaces
Mathematics, Moving Interfaces
The Laminar Two-Phase Flow, Moving Mesh Interface
The Laminar Two-Phase Flow, Level Set Interface
The Laminar Two-Phase Flow, Level Set (tpf) interface (
), found under the Multiphase
) when adding a physics interface, is used
to track the interface between two immiscible fluids. The flow is assumed to be
laminar, that is, to be of low to moderate Reynolds number. The fluids can be
incompressible or compressible.
Flow>Two-Phase Flow, Level Set branch (
The physics interface solves Navier-Stokes equations for the conservation of
momentum and a continuity equation for the conservation of mass. The interface
position is tracked by solving a transport equation for the level-set function.
Simulations using the Laminar Two-Phase Flow, Level Set interface are always
time-dependent since the position of an interface is almost always dependent of its
history.
The main node is the Fluid Properties feature, which adds the Navier-Stokes equations
and the level set equation and provides an interface for defining the properties of the
fluids and the surface tension.
When this physics interface is added, the following default nodes are also added in the
Model BuilderFluid Properties, Wall (with a default No slip boundary condition),
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Initial Interface, and Initial Values. Then, from the Physics toolbar, add other nodes that
implement, for example, boundary conditions and volume forces. You can also
right-click Laminar Two-Phase Flow, Level Set to select physics features from the context
menu.
Except where included below, the Laminar Two-Phase Flow, Level Set has the same
sections and settings as the Laminar Flow interface.
SETTINGS
The Label is the default physics interface name.
The Name is used primarily as a scope prefix for variables defined by the physics
interface. Refer to such physics interface variables in expressions using the pattern
<name>.<variable_name>. In order to distinguish between variables belonging to
different physics interfaces, the name string must be unique. Only letters, numbers and
underscores (_) are permitted in the Name field. The first character must be a letter.
The default Name (for the first physics interface in the model) is tpf.
PHYSICAL MODEL
The Laminar Two-Phase Flow, Level-Set interface uses a level set method to track the
fluid-fluid interface.
This physics interface changes to a Laminar Two-Phase Flow, Phase Field interface if the
Multiphase flow model selected is Two-phase flow, phase field. See The Laminar
Two-Phase Flow, Phase Field Interface for details.
The Compressibility defaults to Incompressible flow (constant density flow). Select
Compressible flow (Ma<0.3) to use the compressible formulation of the Navier-Stokes
equations.
Select the Neglect inertial term (Stokes flow) check box to model flow at very low
Reynolds numbers for which the inertial term in the Navier-Stokes equations can be
neglected. The physics interface then solves the linear Stokes equations instead. The
Stokes equations are valid for creeping flow, which can occur in microfluidics and
MEMS devices, where the flow speed or length scales are very small.
Enter a Reference pressure level pref (SI unit: Pa). The default value is 1[atm].
DEPENDENT VA RIA BLES
The dependent variables (field variables) are:
The Velocity field (SI unit: m/s)
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The Pressure (SI unit: Pa)
The Level set variable
The Reciprocal initial interface distance (SI unit: 1/m)
The names can be changed but the names of fields and dependent variables must be
unique within a component.
In the COMSOL Multiphysics Reference Manual see Table 2-3 for links
to common sections and Table 2-4 to common feature nodes. You can
also search for information: press F1 to open the Help window or Ctrl+F1
to open the Documentation window.
Domain, Boundary, Point, and Pair Nodes for the Laminar and
Turbulent Flow, Two-Phase, Level Set and Phase Field Interfaces
Theory for the Level Set and Phase Field Interfaces
Capillary Filling Level Set Method: Application Library path
Microfluidics_Module/Two-Phase_Flow/capillary_filling_ls
The Laminar Two-Phase Flow, Phase Field Interface
The Laminar Two-Phase Flow, Phase Field (tpf) interface (
), found under the
Multiphase Flow>Two-Phase Flow, Phase Field branch (
) when adding a physics
interface, is used to track the interface between two immiscible fluids. The flow is
assumed to be laminar, that is, to be of low to moderate Reynolds number. The fluids
can be incompressible or compressible.
The physics interface solves Navier-Stokes equations for the conservation of
momentum and a continuity equation for the conservation of mass. The interface
position is tracked by solving two additional transport equations, one for the phase
field variable and one for the mixing energy density. The movement of the surface is
determined by minimization of free energy.
Simulations using the Laminar Two-Phase Flow, Phase Field interface are always
time-dependent since the position of an interface is almost always dependent of its
history.
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The main node is the Fluid Properties feature, which adds the Navier-Stokes equations
and the phase field equations and provides an interface for defining the properties of
the fluids and the surface tension.
When this physics interface is added, the following default nodes are also added in the
Model BuilderFluid Properties, Wall (with a default No slip boundary condition),
Initial Interface, and Initial Values. Then, from the Physics toolbar, add other nodes that
implement, for example, boundary conditions and volume forces. You can also
right-click Laminar Two-Phase Flow, Phase Field to select physics features from the
context menu.
Except for the Physical Model section, the settings and model examples are the same as
for The Laminar Two-Phase Flow, Level Set Interface.
PHYSICAL MODEL
The Laminar Two-Phase Flow, Phase Field interface uses a phase field method to track
the fluid-fluid interface.
Domain, Boundary, Point, and Pair Nodes for the Laminar and
Turbulent Flow, Two-Phase, Level Set and Phase Field Interfaces
Theory for the Level Set and Phase Field Interfaces
Domain, Boundary, Point, and Pair Nodes for the Laminar and
Turbulent Flow, Two-Phase, Level Set and Phase Field Interfaces
The Laminar Two-Phase Flow, Level Set and Laminar Two-Phase Flow, Phase Field
Interfaces has these domain, boundary, point, and pair nodes, which are available from
the Physics ribbon toolbar (Windows users), Physics context menu (Mac or Linux
users), or right-click to access the context menu (all users).
In general, to add a node, go to the Physics toolbar, no matter what
operating system you are using. Subnodes are available by clicking the
parent node and selecting it from the Attributes menu.
In addition to the surface level boundary conditions listed below, the pressure point
constraint boundary condition is also available and should be used in addition to the
boundary conditions listed when the pressure level is not specified by any other
boundary condition.
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These nodes, listed in alphabetical order, are described in this section:
Fluid Properties
Initial Values
Gravity
Wall
Initial Interface
The following nodes (listed in alphabetical order) are described for the Laminar Flow
interface:
Flow Continuity
Point Mass Source
Inlet
Pressure Point Constraint
Line Mass Source
Symmetry
Outlet
Volume Force
Periodic Flow Condition
Wall
In the COMSOL Multiphysics Reference Manual see Table 2-3 for links
to common sections and Table 2-4 to common feature nodes. You can
also search for information: press F1 to open the Help window or Ctrl+F1
to open the Documentation window.
Wall
The Wall node represents the walls in a two-phase flow simulation. The Wall feature
for this physics interface includes slip, no slip, and slip velocity boundaries as well as
sliding, leaking, moving, and wetted walls. The No slip boundary condition is the
default boundary condition. These boundary conditions are described for the Laminar
Flow interface.
The Wetted wall and Moving, wetted wall boundary conditions are described in this
section. See the Laminar Flow interface for the other settings (Wall).
Wetted Wall
The Wetted wall boundary condition is suitable for walls in contact with the fluid-fluid
interface. If this boundary condition is used, the fluid-fluid interface can move along
the wall. For applications where the interface is fixed on the wall, the no slip condition
is suitable.
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The implementation of the wetted wall boundary condition differs depending on the
method used to track the fluid-fluid interface (the level set method or the phase field
method).
Level Set For the level set method, this boundary condition enforces the
no-penetration condition u nwall = 0 and adds a frictional force of the form
F fr = --- u
where is the slip length. For numerical calculations it is suitable to set = h, where
h is the mesh element size. The boundary condition does not set the tangential velocity
component to zero; however, the extrapolated tangential velocity component is 0 at a
distance outside the wall (see Figure 4-1).
Finally, the boundary condition adds the following weak boundary term:
test ( u ) [ ( nwall ( n cos w ) ) ] dS
The boundary term results from the partial integration of the surface tension force in
the momentum equation. Define the contact angle w (that is, the angle between the
fluid interface and the wall). Figure 4-1 illustrates the definition of the contact angle.
Fluid 1
Wall
Wall
Fluid 2
Figure 4-1: Definition of the contact angle at interface/wall contact points (left) and
an illustration of the slip length (right).
With the level set method, define the following two properties for the wetted wall:
Enter a value or expression for the Contact angle w. The default is pi/2 (/2) rad.
Enter a value or expression for the Slip length (SI unit: m). The default is h, which
is the variable for the local mesh element size h.
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Phase Field The motion of the interface on the boundary due to advection is zero and
so the no slip boundary condition, u = 0, is used in the momentum equation. The
following boundary condition defines the contact angle between Fluid 2 and the wall:
2
n = cos ( w )
(4-1)
where w is the user-defined contact angle and n is the unit vector normal to the wall.
The phase field help variable is assigned the boundary condition:
n -----2- = 0
(4-2)
With the phase field method, enter a value or expression for the Contact angle w. The
default value is pi/2 (/2) rad.
Moving Wetted Wall
When the wetted wall is moving, Equation 4-1 and Equation 4-2 are still valid but the
boundary condition for the momentum equation becomes u = uw. Enter a value or
expression for:
The components of the Velocity of the moving wall uw (SI unit: m/s).
The Contact angle w. The default is pi/2 (/2) rad.
Fluid Properties
The Fluid Properties node adds the flow equations and the equations for the level set
variable or the phase field variable (where applicable). For the level set and phase field
interfaces, specify the fluid that each domain is initially filled with using the Initial
Values node.
FLUID 1 AND FLUID 2 PROPERTIES
Specify the Density and the Dynamic viscosity of Fluid 1 and Fluid 2 in the same way as
in a single-phase flow interface (see Fluid Properties).
Care should be taken when using the Domain Material setting for the
material properties for Fluid 1 and Fluid 2.
The material properties are obtained from the domain irrespective of the location of
the interface. If two different materials are selected in domains 1 and 2, with the phase
boundary initially coincident with the domain boundary, the model has convergence
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issues once the phase boundary moves away from the domain boundary. This is
because a density discontinuity and a viscosity discontinuity occurs at the boundary
separating the two fluids. For this reason selecting the material directly is
recommended when setting the material properties for Fluid 1 and Fluid 2.
The fluid defined as Fluid 1 affects the wetting characteristics on wetted walls. See the
Wall node for details.
S U R F A C E TE N S I O N
This section is not available for the turbulent versions of these physics interfaces.
Select the Neglect surface tension in momentum equation check box to neglect surface
tension.
Select a Surface tension coefficient (SI unit: N/m):
To use a predefined expression, select Library coefficient, liquid/gas interface or
Library coefficient, liquid/liquid interface. Then select an option from the list that
displays below (for example, Water/Air, Glycerol/Air and so forth).
For User defined enter a value or expression for the surface tension coefficient (SI
unit: N/m).
LEVEL SET PARAMETERS
This section is available with The Laminar Two-Phase Flow, Level Set Interface and
when turbulence is active.
Specify the parameters for the level set method:
Enter a value or expression for the Reintialization parameter (SI unit: m/s). The
default value is 1 m/s. Use an approximate value for the maximum speed occurring
in the flow. Because the flow speed is not always known in advance, an initial
computation might be needed to find a proper value for .
Enter a value or expression for the Parameter controlling interface thickness ls
(SI unit: m). The default expression is [Link]/2, which corresponds to half of
the maximum mesh element size in the model. In general, the results are optimal if
the default value is used for this parameter.
PHASE FIELD PARAMETERS
This section is available with The Laminar Two-Phase Flow, Phase Field Interface and
when turbulence is active.
Define the parameters for the phase field method.
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Enter a value or expression for the Parameter controlling interface thickness pf (SI unit:
m). The default expression is [Link]/2, which corresponds to half of the maximum
mesh element size in the model. In general, simply use the default value for optimal
accuracy.
Enter a value or expression for the Mobility tuning parameter (SI unit: ms/kg). The
default is 1 ms/kg, which is a good starting point for most models. This parameter
determines the time scale of the Cahn-Hilliard diffusion and thereby also governs the
diffusion-related time scale of the interface. Keep the parameter value high enough
to maintain a constant interface thickness yet low enough not to damp the convective
motion. A too high mobility value can also lead to excessive diffusion of droplets.
EXTERNAL FREE ENERGY
This section is available with The Laminar Two-Phase Flow, Phase Field Interface and
when turbulence is active.
The expression for the external free energy must be manually
differentiated with respect to and then entered into the derivative
of external free energy field for f (SI unit: J/m3).
Add a source of external free energy as an external force term in the flow equation (the
Fext term in Equation 3-2). The external free energy fext is a user-defined free energy.
In most cases, the external free energy is zero.
Gravity
The Gravity node adds the force Fg in Equation 3-2, which is equal to g, where g is
the gravity vector.
GRAVITY
Enter the coordinates for the Gravity vector g (SI unit: m/s2).
For 3D and 2D axisymmetric components, the default value is -g_const in the z
component. g_const is the acceleration of gravity (a predefined physical constant).
For 2D components, the default value is -g_const in the y component. g_const is
the acceleration of gravity (a predefined physical constant).
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Initial Values
The Initial Values node adds initial values for the flow variables that serve as an initial
condition for a transient simulation. Also specify which of the fluids initially occupies
the domain selection.
IN IT IA L VA LUES
Enter values or expressions for the initial value of the Velocity field u and for the
Pressure p. The default values are all 0.
For the Level Set and Phase Field interfaces, click the Fluid 1 button or the Fluid 2
button under Fluid initially in domain to prescribe the fluid initially in the current
domain selection. Add another Initial Values node to specify the fluid initially in
another domain.
) study is being used, for the
If the Transient with Phase Initialization (
initialization to work it is crucial that there are two Initial Value nodes and
one Initial Interface node. One of the Initial Values nodes should use Fluid
initially in domain: Fluid 1and the other Fluid initially in domain: Fluid 2. The
Initial Interface node should have all interior boundaries where the
interface is initially present as selection. If the selection of the Initial
Interface node is empty, the initialization fails. See Phase Initialization.
Initial Interface
Use the Initial Interface node to define the initial position as a boundary condition on
interior boundaries. During the initialization step, this boundary condition sets the
level set function to 0.5 or the phase field function to 0. Transient simulations of the
fluid flow treats the boundary as an interior boundary.
If the Transient with Phase Initialization (
) study is being used, it is
crucial that there are two Initial Value nodes and one Initial Interface
node for the initialization to work. One of the Initial Values nodes should
use Fluid initially in domain: Fluid 1and the other Fluid initially in domain:
Fluid 2. The Initial Interface node should have all interior boundaries
where the interface is initially present as selection. If the selection of the
Initial Interface node is empty, the initialization fails. See Phase
Initialization.
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T he L a m i na r T wo- Ph ase Fl ow, Mov i n g
M e s h I nte r f a c e
The Laminar Two-Phase Flow, Moving Mesh (tpfmm) interface (
), found under the
Multiphase Flow>Two-Phase Flow, Moving Mesh branch (
) when adding a physics
interface, has the domain level equations and boundary conditions to model laminar
two-phase flow of immiscible fluids separated by a moving interface. The velocity field,
pressure and mesh deformation are solved for and the location of the interface is
tracked by the deformed mesh.
The main node is the Fluid Properties feature, which adds the Navier-Stokes equations
and provides an interface for defining the properties of the fluids and the surface
tension. For each of the fluids the density and viscosity must be specified (these are
typically taken from the corresponding materials, but can be user-defined).
The following default nodes are added when using this physics interfaceFree
Deformation, Prescribed Mesh Displacement, Wall, Initial Values, and Fluid Properties.
Then, from the Physics toolbar, add other nodes that implement, for example,
boundary conditions and volume forces. You can also right-click Laminar Two-Phase
Flow, Moving Mesh to select physics features from the context menu.
SETTINGS
The Label is the default physics interface name.
The Name is used primarily as a scope prefix for variables defined by the physics
interface. Refer to such physics interface variables in expressions using the pattern
<name>.<variable_name>. In order to distinguish between variables belonging to
different physics interfaces, the name string must be unique. Only letters, numbers and
underscores (_) are permitted in the Name field. The first character must be a letter.
The default Name (for the first physics interface in the model) is tpfmm.
PHYSICAL MODEL
This physics interface deforms the mesh within the domains on either side of the two
fluid interface to track its movement.
The Compressibility defaults to Compressible flow (Ma<0.3), which uses a compressible
formulation of the Navier-Stokes equations. Select Incompressible flow to use the
incompressible (constant density) formulation.
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If flow is occurring at very low Reynolds numbers the inertial term in the
Navier-Stokes equations can be neglected and the linear Stokes equations can be solved
on the domain. This flow type is referred to as creeping flow or Stokes flow and can
occur in microfluidics and MEMS devices, where the flow length scales are very small.
To make this approximation select the Neglect inertial term (Stokes flow) check box,
which significantly improves the solver speed.
Enter a Reference pressure level pref (SI unit: Pa). The default value is 1[atm].
FREE DEFORMATION SETTINGS
Select a Mesh smoothing typeWinslow (the default), Laplace, Hyperelastic, or Yeoh. For
the Yeoh mesh smoothing type, also specify a Stiffening factor (default: 100). See
Smoothing Methods in the COMSOL Multiphysics Reference Manual for more
information.
FRAME SETTINGS
The Material frame coordinates setting enables the names of the space coordinates for
tracking the mesh movement in the x, y, and z directions to be changed. The default
names are the coordinates of the spatial frame in uppercase letters.
The Geometry shape order setting controls the order of polynomials used for
representing the geometry shape in the spatial frame. The same order is used for
Lagrange shape functions defining the mesh position in domains where Free
displacement has been activated.
DEPENDENT VA RIA BLES
The dependent variables (field variables) are for the Velocity field and Pressure. The
names can be changed in the corresponding fields, but the names of fields and
dependent variables must be unique within a model.
In the COMSOL Multiphysics Reference Manual see Table 2-3 for links
to common sections and Table 2-4 to common feature nodes. You can
also search for information: press F1 to open the Help window or Ctrl+F1
to open the Documentation window.
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Domain, Boundary, Edge, Point, and Pair Nodes for the Laminar
Two-Phase Flow, Moving Mesh Interface
Smoothing Methods in the COMSOL Multiphysics Reference
Manual
The following models are found at this Application Library path
Microfluidics_Module/Two_Phase_Flow>[file name]
Jet InstabilityMoving Mesh: jet_instability
Electrowetting Lens: electrowetting_lens
The Viscous Catenary: viscous_catenary
Domain, Boundary, Edge, Point, and Pair Nodes for the Laminar
Two-Phase Flow, Moving Mesh Interface
The Laminar Two-Phase Flow, Moving Mesh Interface has these domain, boundary,
edge, point, and pair nodes available from the Physics ribbon toolbar (Windows users),
Physics context menu (Mac or Linux users), or right-click to access the context menu
(all users)..
In general, to add a node, go to the Physics toolbar, no matter what
operating system you are using. Subnodes are available by clicking the
parent node and selecting it from the Attributes menu.
Boundary conditions (and edge and point nodes) must be specified for
the moving mesh on all external boundaries of the model. It can also be
beneficial to set boundary conditions on internal boundaries - depending
on the problem and the geometry. The boundary conditions are of two
forms: a Prescribed Mesh Displacement and a Prescribed Mesh Velocity.
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These nodes are described in this section (listed in alphabetical order):
External Fluid Interface
Navier Slip
Fluid-Fluid Interface
Prescribed Mesh Displacement
Fixed Mesh
Prescribed Mesh Velocity
Free Deformation
Wall-Fluid Interface
Initial Values
These nodes are described for the Moving Mesh interface in the COMSOL
Multiphysics Reference Manual (listed in alphabetical order):
Prescribed Deformation
Zero Normal Mesh Displacement
Prescribed Normal Mesh Velocity
Zero Normal Mesh Velocity
These nodes are described for the Laminar Flow interface (listed in alphabetical order):
No Viscous Stress
Periodic Flow Condition
Flow Continuity
Pressure Point Constraint
Fluid Properties
Symmetry
Inlet
Volume Force
Open Boundary
Wall
Outlet
Smoothing Methods in the COMSOL Multiphysics Reference Manual
In the COMSOL Multiphysics Reference Manual see Table 2-3 for links
to common sections and Table 2-4 to common feature nodes. You can
also search for information: press F1 to open the Help window or Ctrl+F1
to open the Documentation window.
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Free Deformation
The Free Deformation default node applies the equations for the moving mesh to the
domains selected, to allow deformation of the mesh. Domains either side of a
fluid-fluid interface must have this option selected.
INITIAL DEFORMATION
Enter values or expressions for each coordinate based on the space dimension for the
Initial mesh displacement (dx0, dy0, dz0) (SI unit: m). The default is for no mesh
displacement.
Prescribed Mesh Displacement
The Prescribed Mesh Displacement boundary condition fixes the mesh displacement to
a constant value (typically 0). The displacement can be fixed along the global
coordinate axis or by using another boundary system. In particular the boundary
coordinate system is useful and can be employed to specify a zero displacement
perpendicular to the boundary (if, for example, the boundary represents a solid wall).
Often it is desirable to constrain the mesh displacement only in one direction (for
example perpendicular to but not parallel to a solid boundary). In this case, click to
clear the check box next to the prescribed displacement if the free axis should be
deselected.
If a Fluid-Fluid Interface is in contact with a solid boundary the mesh
displacement parallel to the boundary cannot be fixed if the contact point
is moving. In this case the Navier Slip boundary condition and the
Prescribed Mesh Displacement boundary condition (with displacement
prescribed only in the normal direction) represent a suitable choice of
boundary conditions.
PRESCRIBED MESH DISPLACEMENT
By default the Prescribed x mesh displacement, Prescribed y mesh displacement, and
Prescribed z mesh displacement check boxes are selected. The available fields are based
on the space dimension of the model. Enter values or expressions for each of the
Prescribed mesh displacement fields dx, dy, and dz (SI unit: m). Click to clear the check
boxes as needed.
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CONSTRAINT SETTINGS
To display this section, click the Show button (
) and select Advanced Physics Options.
Initial Values
The Initial Values nod adds initial values for the velocity field and the pressure that can
serve as an initial condition for a transient simulation or as an initial guess for a
nonlinear solver.
IN IT IA L VA LUES
Enter values or expressions for the initial value of the Velocity field u (SI unit: m/s) and
for the Pressure p (SI unit: Pa). The default values are 0.
Fixed Mesh
The Fixed Mesh node specifies that the mesh does not move in the selected domains. A
fixed mesh should only be used on domains that are not adjacent to a fluid-fluid
interface.
All the elements on the domain boundary are also fixed. Care should be
taken to prevent mesh movement in an undesirable manner in an adjacent
free deformation domain.
Prescribed Mesh Velocity
The Prescribed Mesh Velocity boundary condition is used to set the mesh velocity rather
than the mesh displacement. This boundary condition is applied automatically to
fluid-fluid interfaces (where the mesh velocity is set to the fluid velocity). It might also
be used to model, for example, a moving wall.
Note these limitations for the Moving Mesh:
The connectivity of the mesh remains unchanged during the mesh deformation,
which means that topological changes in the geometry (for example, a droplet pinch
off) cannot be simulated.
When the mesh deformation becomes large, the quality of the mesh created by the
smoothing equations can deteriorate. If this happens, the solver runs into
convergence problems. Sometimes the warning Inverted mesh element is displayed
in the Progress window for the solver, which means that a mesh element has
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(partially) warped inside-out. In this case introducing extra boundaries with explicit
deformation inside the domains can help. Using a quadrilateral mesh (which is
typically stiffer as it deforms) is another possibility. Also generate a new mesh for the
region covered by the deformed mesh and let the solver continue by deforming the
new mesh; see Remeshing a Deformed Mesh in the COMSOL Multiphysics
Reference Manual.
When using Geometry shape order larger than 1 in the Moving Mesh and Deformed
Geometry interfaces, the mesh moving techniques often produce elements with
distorted shapes. The default value of 1 is appropriate for most situations, provided
a sufficiently fine mesh is employed.
The measure of mesh quality does not capture these distorted shapes
because it is computed from the positions of the corners of the mesh
element (ignoring midsize nodes, for example).
P RE S C R I B E D M E S H VE L O C I T Y
By default the Prescribed x velocity, Prescribed y velocity, and Prescribed z velocity check
boxes are selected. The available fields are based on the space dimension of the model.
Enter values or expressions for each of the Prescribed mesh velocity fields vx, vy, and vz
(SI unit: m/s). Click to clear the check boxes as needed.
CONSTRAINT SETTINGS
To display this section, click the Show button (
) and select Advanced Physics Options.
Prescribed Mesh Displacement
Weak Constraint and Deformed Geometry and Moving Mesh in the
COMSOL Multiphysics Reference Manual
Fluid-Fluid Interface
The Fluid-Fluid Interface node defines the initial position of a fluid-fluid interface and
includes equations to track the evolution of the interface. The Wall-Fluid Interface
subnode is available from the context menu (right-click the parent node) or from the
Physics toolbar, Attributes menu.
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S U R F A C E TE N S I O N
The default Surface tension coefficient (SI unit: N/m) is User defined. Or select Library
coefficient, liquid/gas interface or Library coefficient, liquid/liquid interface.
For Library coefficient, liquid/gas interface select an option from the listWater/Air,
Acetone/Air, Acetic acid/Air, Ethanol/Air, Ethylene glycol/Ethylene glycol vapor, Diethyl
ether/Air, Glycerol/Air, Heptane/Nitrogen, Mercury/Mercury vapor, or Toluene/Air.
For Library coefficient, liquid/liquid interface select an option from the list
Benzene/Water, 20C, Corn oil/Water, 20C, Ether/Water, 20C, Hexane/Water, 20C,
Mercury/Water, 20C, or Olive oil/Water, 20C.
MASS FLUX
The mass flux setting specifies the mass transfer across the boundary, due to processes
such as boiling. The default Mass Flux Mf (SI unit: kg/(m2 s)) is User defined, with a
value of 0.
External Fluid Interface
The External Fluid Interface node defines the initial position of an external fluid
interface - that is, an interface in which the viscosity in the fluid outside the domain
can be neglected. It also includes equations to model the interface. The Wall-Fluid
Interface subnode is available from the context menu (right-click the parent node) or
from the Physics toolbar, Attributes menu.
FREE SURFACE
Enter an External pressure pext (SI unit: Pa).
S U R F A C E TE N S I O N
The default Surface tension coefficient (SI unit: N/m) is User defined. Or select Library
coefficient, liquid/gas interface or Library coefficient, liquid/liquid interface.
For Library coefficient, liquid/gas interface select an option from the listWater/Air,
Acetone/Air, Acetic acid/Air, Ethanol/Air, Ethylene glycol/Ethylene glycol vapor, Diethyl
ether/Air, Glycerol/Air, Heptane/Nitrogen, Mercury/Mercury vapor, or Toluene/Air.
For Library coefficient, liquid/liquid interface select an option from the list
Benzene/Water, 20C, Corn oil/Water, 20C, Ether/Water, 20C, Hexane/Water, 20C,
Mercury/Water, 20C, or Olive oil/Water, 20C.
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129
Wall-Fluid Interface
The Wall Fluid Interface subnode is available from the context menu (right-click the
Fluid-Fluid Interface and External Fluid Interface parent node) or from the Physics
toolbar, Attributes menu. This feature applies the forces necessary to maintain the
contact angle at the wall.
The Wall-Fluid Interface node should only be used with the Navier Slip
boundary condition, which should be applied to the adjacent wall(s). If
another boundary condition is used with this feature the normal for the
wall is not correct on the wall-fluid interface, leading to an incorrect force
on the contact line.
WA LL -F LU ID IN TE RFA CE
Select an option from the Specify contact angle listDirectly (the default) or Through
Youngs equation.
For Directly enter a Contact angle w (SI unit: rad). The default is /2 radians.
For Through Youngs equation enter values or expressions for Phase 1-Solid surface
energy density s1 (SI unit: J/m2) and Phase 2-Solid surface energy density s2 (SI
unit: J/m2).
The contact angle w is defined between the fluid-fluid interface and the
surface of the wall adjacent to phase 1.
Navier Slip
The Navier Slip boundary condition is suitable for walls in contact with the fluid-fluid
interface. If this boundary condition is used in combination with a Prescribed
Displacement perpendicular to the wall only, the fluid-fluid interface can move along
the wall. For applications where the interface is fixed on the wall, the Wall-No slip
condition together with a zero Prescribed Displacement both parallel and perpendicular
to the wall can be used.
The boundary condition enforces the slip condition u nwall = 0 and adds a frictional
force of the form
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F fr = --- u
where is the slip length. By default = h/5, where h is the mesh element size. Strictly
speaking the slip length should be set to a fixed physically motivated value (which is
typically a few 10 s of nm) and the mesh should be fine enough to resolve distances of
the order of the slip length. For many practical purposes the above approximation is
sufficient. This boundary condition does not set the tangential velocity component to
zero; however, the extrapolated tangential velocity component is 0 at the distance
outside the wall (this is illustrated for the wetted wall boundary condition in
Figure 4-2).
For axisymmetric components when the Swirl flow property is active, there is an option
to set a value for the Out-of-plane wall velocity, vw. In this case, an additional constraint
is imposed on the component of the velocity:
u = vw
NAVIER SLIP
Enter a Slip length (SI unit: m).
Select Stationary wall (the default) or Normal wall velocity to specify whether the wall is
stationary or moving. In the case of Normal wall velocity the Wall velocity (m/s)
should be entered. For axisymmetric components when the Swirl flow property is active
there is the option to select Out-of-plane wall velocity and enter the Velocity of moving
wall, component. The Swirl flow property in the Two-phase Flow, Moving Mesh
interface requires both the CFD and Microfluidics Modules.
The moving mesh boundary condition must be compatible with the
motion of the wall for the problem to have a valid solution.
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131
Theory for the Level Set and Phase
Field Interfaces
The Level Set and Phase Field interfaces can be used to model the flow of two
different, immiscible fluids, where the exact position of the interface between the two
fluids is of interest. The fluid-fluid interface is tracked using an auxiliary function on a
fixed mesh. These methods account for differences in the two fluids densities and
viscosities and include the effects of surface tension and gravity.
The Laminar Two-Phase Flow, Level Set and Laminar Two-Phase Flow, Phase Field
Interfaces theory is described in this section:
Level Set and Phase Field Equations
Conservative and Non-Conservative Formulations
Phase Initialization
Numerical Stabilization
References for the Level Set and Phase Field Interfaces
Level Set and Phase Field Equations
by default, the Level Set and Phase Field interfaces use the incompressible formulation
of the Navier-Stokes equations:
u
T
+ ( u )u = [ p I + ( u + u ) ] + F g + F st + F ext + F
t
u = 0
(4-3)
(4-4)
USING THE LEVEL SET METHOD
If the level set method is used to track the interface, it adds the following equation:
----+ u = ( 1 ) ----------
(4-5)
where is the reinitialization parameter (set to 1 by default) and is the interface
thickness controlling parameter (set to hmax/2 where hmax is the maximum element
size in the component). The density is a function of the level set function defined as
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= 1 + ( 2 1 )
and the dynamic viscosity is given by
= 1 + ( 2 1 )
where 1 and 2 are the constant densities of Fluid 1 and Fluid 2, respectively, and 1
and 2 are the dynamic viscosities of Fluid 1 and Fluid 2, respectively. Here, Fluid 1
corresponds to the domain where < 0.5 , and Fluid 2 corresponds to the domain
where > 0.5 .
Further details of the theory for the level set method are in Ref. 1.
USING THE PHASE FIELD METHOD
If the phase field method is used to track the interface, it adds the following equations:
+ u = -----2-
t
(4-6)
2
f ext
2
2
= + ( 1 ) + -----
(4-7)
where the quantity (SI unit: N) is the mixing energy density and (SI unit: m) is a
capillary width that scales with the thickness of the interface. These two parameters are
related to the surface tension coefficient, (SI unit: N/m), through the equation
2 2
= ----------- --3
and is related to through =2 where is the mobility tuning parameter (set to 1
by default). The volume fraction of Fluid 2 is computed as
V f = min ( max ( [ ( 1 + ) 2 ], 0 ), 1 )
where the min and max operators are used so that the volume fraction has a lower limit
of 0 and an upper limit of 1. The density is then defined as
= 1 + ( 2 1 )V f
and the dynamic viscosity according to
= 1 + ( 2 1 )V f
THEORY FOR THE LEVEL SET AND PHASE FIELD INTERFACES
133
where 1 and 2 are the densities and 1 and 2 are the dynamic viscosities of Fluid 1
and Fluid 2, respectively.
The mean curvature (SI unit: 1/m) can be computed by entering the following
expression:
G
= 2 ( 1 + ) ( 1 ) ---
where G is the chemical potential defined as:
( 1 ) f
G = 2 + -------------------+ -----
2
Details of the theory for the phase field method are in Ref. 2.
F O R C E TE R M S
The four forces on the right-hand side of Equation 4-3 are due to gravity, surface
tension, a force due to an external contribution to the free energy (using the phase field
method only), and a user-defined volume force.
The Surface Tension Force for the Level Set Method
For the level set method, the surface tension force acting on the interface between the
two fluids is Fst = n where is the surface tensions coefficient (SI unit: N/m),
is the curvature, and n is the unit normal to the interface. (SI unit: 1/m) is a Dirac
delta function located at the interface. depends on second derivatives of the level set
function . This can lead to poor accuracy of the surface tension force. Therefore, the
following alternative formulation is used:
T
F st = ( ( I ( nn ) ) )
For a derivation of this formulation, see Appendix A in Ref. 3. In the weak formulation
of the momentum equation, it is possible to move the divergence operator, using
integration by parts, to the test functions for the velocity components.
The -function is approximated by a smooth function according to
= 6 ( 1 )
The Surface Tension Force for the Phase Field Method
The surface tension force for the phase field method is implemented as a body force
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f
F st = G ------
where G is the chemical potential (SI unit: J/m3) defined in The Equations for the
Phase Field Method and f is a user-defined source of free energy.
The Gravity Force
The gravity force is Fg = g where g is the gravity vector. Add this as a Gravity feature
to the fluid domain.
The User Defined Volume Force
When using a Phase Field interface, a force arising due to a user-defined source of free
energy is computed according to:
f
F ext =
This force is added when a -derivative of the external free energy has been defined in
the External Free Energy section of the Fluid Properties feature.
Conservative and Non-Conservative Formulations
When the velocity field is divergence free, you can use either the conservative or the
non-conservative formulation of the level set or phase field equation. The conservative
form perfectly conserves the mass of each fluid, but the computational time is generally
longer.
Phase Initialization
If the study type Transient with Phase Initialization is used in the model, the level set
or phase field variable is automatically initialized. For this study, two study steps are
created, Phase Initialization and Time Dependent. The Phase Initialization step solves
for the distance to the initial interface >, Dwi. The Time Dependent step then uses the
initial condition for the level set function according to the following expression:
1 0 = ----------------------D
1 + e wi
in domains initially filled with Fluid 1 and
THEORY FOR THE LEVEL SET AND PHASE FIELD INTERFACES
135
1
0 = ------------------------D
1 + e wi
in domains initially filled with Fluid 2.
Correspondingly, for the phase field method the following expressions are used:
D wi
0 = tanh ----------
2
in Fluid 1 and
D wi
0 = tanh ----------
2
in Fluid 2. The initial condition for the help variable is 0 = 0. These expressions are
based on the analytical solution of the steady state solution of Equation 4-5,
Equation 4-6, and Equation 4-7 for a straight, non-moving interface.
For the initialization to work it is crucial that there are two Initial Values
nodes and one Initial Interface node. One of the Initial Values nodes
should use Fluid initially in domain: Fluid 1and the other Fluid initially in
domain: Fluid 2. The Initial Interface node should have all interior
boundaries where the interface is initially present as selection. If the
selection of the Initial Interface node is empty, the initialization fails.
The Laminar Two-Phase Flow, Level Set and Laminar Two-Phase
Flow, Phase Field Interfaces
Studies and Solvers and Transient with Phase Initialization in the
COMSOL Multiphysics Reference Manual
Numerical Stabilization
Four types of stabilization methods are available for the flow (Navier-Stokes) and
interface (level set or phase field) equations. Two are consistent stabilization
methodsStreamline diffusion and Crosswind diffusionand two are inconsistent
Isotropic diffusion and Anisotropic diffusion.
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C H A P T E R 4 : M U L T I P H A S E F L O W , TW O - P H A S E F L O W I N T E R F A C E S
To display this section, click the Show button (
) and select Stabilization.
Theory for the Level Set and Phase Field Interfaces
Stabilization in the COMSOL Multiphysics Reference Manual
References for the Level Set and Phase Field Interfaces
1. E. Olsson and G. Kreiss, A Conservative Level Set Method for Two Phase Flow,
J. Comput. Phys., vol. 210, pp. 225246, 2005.
2. P. Yue, J.J. Feng, C. Liu, and J. Shen, A Diffuse-interface Method for Simulating
Two-phase Flows of Complex Fluids, J. Fluid Mech., vol. 515, pp. 293317, 2004.
3. B. Lafaurie, C. Nardone, R. Scardovelli, S. Zaleski, and G. Zanetti Modelling
Merging and Fragmentation in Multiphase Flows with SURFER. J. Comput. Phys.,
vol. 113, no. 1, pp. 134147, 1994.
THEORY FOR THE LEVEL SET AND PHASE FIELD INTERFACES
137
Theory for the Two Phase Flow
Moving Mesh Interface
The Laminar Two-Phase Flow, Moving Mesh Interface can be used to model the flow
of two different, immiscible fluids, when the exact position of the interface is of
interest. The interface position is tracked by a moving mesh, with boundary conditions
that account for surface tension and wetting, as well as mass transport across the
interface.
In this section:
Domain Level Fluid Flow
About the Moving Mesh
About the Fluid Interface Boundary Conditions
Wall Fluid Interface Boundary Conditions
References for the Two-Phase Flow, Moving Mesh Interface
Domain Level Fluid Flow
Two Phase Flow Moving Mesh interface is a predefined physics interface coupling
between a Single-Phase Flow interface and the Moving Mesh interface. Within the
domains corresponding to individual phases the fluid flow is solved using the
Navier-Stokes equations as in the Laminar Flow interface. The general form for the
isothermal Navier-Stokes equations is:
----+ ( u ) = 0
t
u
------- + ( u )u = [ pI + ] + F
t
where:
is the density (SI unit: kg/m3)
u is the velocity vector (SI unit: m/s)
p is pressure (SI unit: Pa)
F is the volume force vector (SI unit: N/m3)
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C H A P T E R 4 : M U L T I P H A S E F L O W , TW O - P H A S E F L O W I N T E R F A C E S
is the viscous stress tensor (SI unit: Pa).
For a Newtonian fluid the viscous stress tensor, , is given by:
2
= 2S --- ( u )I
3
(4-8)
The dynamic viscosity (SI unit: Pas) is allowed to depend on the thermodynamic
state but not on the velocity field.
Theory for the Single-Phase Flow Interfaces
About the Moving Mesh
The mesh within the fluid flow domain is deformed to account for the movement of
the interface between the two fluids. The software perturbs the mesh nodes so they
conform with the moving interface and with other moving or stationary boundaries in
the model. The boundary displacement is propagated throughout the domain to
obtain a smooth mesh deformation everywhere. This is done by solving equations for
the mesh displacements (a Laplace, Winslow, or hyperelastic smoothing equation).
Taking two dimensions as an example, a location in the deformed mesh with
coordinates (x, y) can be related to its coordinates in the original undeformed mesh
(X,Y) by a function of the form:
x = x ( X, Y, t ),
y = y ( X , Y, t )
The original, undeformed, mesh is referred to as the material frame (or reference
frame) whilst the deformed mesh is called the spatial frame. COMSOL Multiphysics
also defines geometry and mesh frames, which are coincident with the material frame
for this physics interface.
For the Two-Phase Flow, Moving Mesh interface the fluid flow equations (along with
other coupled equations such as electric fields or chemical species transport) are solved
in the spatial frame in which the mesh is perturbed. The movement of the phase
boundary is therefore accounted for in these interfaces.
Deformed Geometry and Moving Mesh in the COMSOL Multiphysics
Reference Manual
T H E O R Y F O R T H E TW O P H A S E F L O W M O V I N G M E S H I N T E R F A C E
139
About the Fluid Interface Boundary Conditions
The interfaces between phases are tracked with specific boundary conditions for the
mesh displacement and the fluid flow. Two options are availableExternal Fluid
Interface and Fluid-Fluid Interface. The External Fluid Interface boundary condition
is appropriate when the viscosity of the external fluid is negligible compared to that of
the internal fluid. In this case the pressure of the external fluid is the only parameter
required to model the fluid and the flow is not solved for in the external fluid. For a
fluid-fluid interface the flow is solved for both phases.
FLUID-FLUID INTERFACE
The boundary conditions applied at an interface between two immiscible fluids, fluid 1
and fluid 2 (see Figure 4-2), are given by (Ref. 1):
1
1
u 1 = u 2 + ------ ------ M f n i
1 2
(4-9)
n i 2 = n i 1 + f st
(4-10)
Mf
u mesh = u 1 n i --------- n i
(4-11)
where u1 and u2 are the velocities of the fluids 1 and 2 respectively, umesh is the
velocity of the mesh at the interface between the two fluids, ni is the normal of the
interface (outward from the domain of fluid 1), 1 and 2 are the total stress tensors in
domains 1 and 2 respectively, fst is the force per unit area due to the surface tension
and Mf is the mass flux across the interface (SI unit: kg/(m2s)).
Figure 4-2: Definition of fluid 1 and fluid 2 and the interface normal.
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The tangential components of Equation 4-9 enforce a no-slip condition between the
fluids at the boundary. In the absence of mass transfer across the boundary,
Equation 4-9 and Equation 4-11 ensure that the fluid velocity normal to the boundary
is equal to the velocity of the interface. When mass transfer occurs these equations
result from conservation of mass and are easily derived in the frame where the
boundary is stationary.
The components of the total stress tensor, uv, represent the uth component of the
force per unit area perpendicular to the v-direction. n=nv uv (using the summation
convention) is therefore interpreted as the force per unit area acting on the boundary
- in general this is not normal to the boundary. Equation 4-10 therefore expresses the
force balance on the interface between the two fluids.
Two boundary conditions (Equation 4-9 and Equation 4-10) are
necessary to couple the two domains as there are two separate sets of
Navier-Stokes equations, one set for each of the domains.
The force due to the surface tension is given by the following expression:
f st = ( s n i )n i s
(4-12)
where s is the surface gradient operator (s = (I ni niT) where I is the identity
matrix) and is the surface tension at the interface.
In the two dimensional case it is straightforward to see the physical origin of
Equation 4-12. Consider an element of the surface of unit depth into the page as
shown in Figure 4-3. The normal force per unit area Fn on the element in the limit
s 0 is:
F n s = ( + ) sin ( )
Because R s in the limit,
F n = ---R
The quantity sni in the first term on the right-hand side of Equation 4-12 is related
to the mean curvature, , of the surface by the equation =sni. In two dimensions
the mean curvature = 1/R so sni = 1/R. The first term in Equation 4-12 is
therefore the normal force per unit area acting on the boundary due to the surface
tension.
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141
The tangential force per unit area, Ft, acting on the interface in Figure 4-3 can be
obtained from the force balance along the direction of s in the limit s 0:
F t s = ( + ) cos ( ) ( + )
( + )
F t ----------------------------s
This is equivalent to the second term on the right of Equation 4-12.
To obtain additional insight into the boundary condition, it is helpful to re-write
Equation 4-10 as
T
n i ( ( p 1 p 2 )I 1 ( u 1 ( u 1 ) ) + 2 ( u 2 ( u 2 ) ) ) = ( s n i )n i s
assuming Newtonian fluids with viscosities 1 and 2 for fluids 1 and 2 respectively and
that p1 and p2 are the pressures in the respective fluids adjacent to the boundary. This
equation expresses the equality of two vector quantities. It is instructive to consider the
components perpendicular and tangential to the boundary. In the direction of the
boundary normal
T
p 1 p 2 + n i ( 2 ( u 2 ( u 2 ) ) 1 ( u 1 ( u 1 ) ) ) n i = ( s n i )n(4-13)
i
whereas in the tangential direction, ti,
T
n i ( 2 ( u 2 ( u 2 ) ) 1 ( u 1 ( u 1 ) ) ) t i = s
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(4-14)
Figure 4-3: Diagrammatic representation of the forces acting on an element of a
two-dimensional curved surface.
For the case of a static interface, Equation 4-13 expresses the pressure difference across
the interface that results from its curvature. For a moving interface, the surface tension
balances the difference in the total normal stress on either side of the interface.
Equation 4-14 involves only velocity gradients and the gradient of the surface tension.
The implication of this is that surface tension gradients always drive motion; this is
known as the Marangoni effect.
EXTERNAL FLUID INTERFACE
It is often the case that the viscosity of fluid 1 is significantly greater than that of fluid 2
(for example for a liquid-vapor interface). In this case, the viscosity terms in the total
stress from fluid 2 can be neglected and Equation 4-10 becomes:
n i 1 = p ext n i + f st
(4-15)
The outer fluid (fluid 2) now enters the equation system only through the pressure
term and the system can be represented by a domain consisting solely of the fluid 1
domain with an expression (or constant value) for the external pressure, pext, in the
fluid 2 domain. Since the velocity in fluid 2 does not affect fluid 1, fluid 2 does not
need to be explicitly modeled and Equation 4-9 can be dropped. Equation 4-11 is
retained with Mf=0.
T H E O R Y F O R T H E TW O P H A S E F L O W M O V I N G M E S H I N T E R F A C E
143
Wall Fluid Interface Boundary Conditions
At a three-phase boundary, it is necessary to add force terms on the boundary to ensure
that the fluid maintains a consistent contact angle. Additionally the Navier Slip
boundary condition must be used on the walls. The forces acting on the contact point
are applied to the model by the Wall-Fluid Interface node.
Figure 4-4: Forces per unit length acting on a fluid-fluid interface at a three phase
boundary with a solid wall. The surface tension force per unit length, , is balanced by a
reaction force per unit length at the surface, Fn, and by the forces generated by the surface
energies of the two phases at the interface: s1 and s2.
In equilibrium, the surface tension forces and the normal restoring force from the
surface are in balance at a constant contact angle (c), as shown in Figure 4-4. This
equilibrium is expressed by Young's equation, which considers the components of the
forces in the plane of the surface:
cos ( c ) + s1 = s2
(4-16)
where is the surface tension force between the two fluids, s1 is the surface energy
density on the fluid 1solid interface and s2 is the surface energy density on the
fluid 2solid interface.
There is still debate in the literature as to precisely what occurs in non-equilibrium
situations (for example, drop impact) when the physical contact angle deviates from
the contact angle specified by a simple application of Young's equation. A simple
approach, is to assume that the unbalanced part of the in plane Young Force acts on
the fluid to move the contact angle towards its equilibrium value (Ref. 2). COMSOL
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Multiphysics employs this approach as it is physically motivated and is consistent with
the allowed form of the boundary condition from thermodynamics (Ref. 3, Ref. 4).
The normal force balance at the solid surface is handled by the wall boundary
condition, which automatically prevents fluid flow across the solid boundary by the
application of a constraint force. The wall-fluid interface feature applies a force on the
fluid at the interface, fwf, with magnitude:
f wf = ( cos ( c ) cos ( ) )m s
where is the actual contact angle and ms is the binormal to the solid surface, as
defined in Figure 4-5.
Figure 4-5: Diagram showing normal and tangential vectors defined on the interface
between two fluids and a solid surface in 3D (left) and 2D (right). The following vectors
are defined: ni, the fluid-fluid interface unit normal; ns, the solid surface unit normal;
tc, the tangent to the three-phase contact line; and mi and ms, the two unit binormals,
which are defined as mi=tcni and ms=tcns, respectively.
References for the Two-Phase Flow, Moving Mesh Interface
1. R. Scardovell and S. Zalesk, Direct Numerical Simulation of Free Surface and
Interfacial Flow, Annu. Rev. Fluid Mech., vol. 31, pp. 56760, 1999.
2. J. Gerbeau and T. Lelievre, Generalized Navier Boundary Condition and
Geometric Conservation Law for Surface Tension, Computer Methods In Applied
Mechanics and Engineering, vol. 198, pp. 644656, 2009.
T H E O R Y F O R T H E TW O P H A S E F L O W M O V I N G M E S H I N T E R F A C E
145
3. W. Ren and E. Weinan, Boundary Conditions for the Moving Contact Line
Problem, Physics of Fluids, vol. 19, p. 022101, 2007.
4. W. Ren and D. Hu, Continuum Models for the Contact Line Problem, Physics of
Fluids, vol. 22, p. 102103, 2010.
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Mathematics, Moving Interfaces
The Level Set and Phase Field Moving Interfaces are available under the
Mathematics>Moving Interface branch (
) when adding interfaces. See Modeling
Microfluidic Fluid Flows to help you select which interface to use.
The Level Set Interface
The Phase Field Interface
Theory for the Level Set Interface
Theory for the Phase Field Interface
147
T he L e v e l S e t In t erfac e
The Level Set (ls) interface (
), found under the Mathematics>Moving Interface
branch (
) when adding an interface, is used to track moving interfaces in fluid-flow
models by solving a transport equation for the level set function. Simulations using the
Level Set interface are always time dependent since the position of an interface almost
always depends on its history.
The main node is the Level Set Model feature, which adds the level set equation and
provides an interface for defining the level set properties and the velocity field.
When this physics interface is added, the following default nodes are also added in the
Model BuilderLevel Set Model, No Flow (the default boundary condition) and Initial
Values. Then, from the Physics toolbar, add other nodes that implement, for example,
boundary conditions. You can also right-click Level Set to select physics features from
the context menu.
SETTINGS
The Label is the default physics interface name.
The Name is used primarily as a scope prefix for variables defined by the physics
interface. Refer to such physics interface variables in expressions using the pattern
<name>.<variable_name>. In order to distinguish between variables belonging to
different physics interfaces, the name string must be unique. Only letters, numbers and
underscores (_) are permitted in the Name field. The first character must be a letter.
The default Name (for the first physics interface in the model) is ls.
DEPENDENT VARIABLES
The dependent variable (field variable) is the Volume fraction of fluid 2 phi. The name
can be changed but the names of fields and dependent variables must be unique within
a model.
Conservative and Non-Conservative Form
Domain, Boundary, and Pair Nodes for the Level Set Interface
Theory for the Level Set Interface
Theory for the Level Set and Phase Field Interfaces
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CHAPTER 5: MATHEMATICS, MOVING INTERFACES
Domain, Boundary, and Pair Nodes for the Level Set Interface
The Level Set Interface has the following domain, boundary and pair nodes described.
Initial Interface
No Flow
Initial Values
Outlet1
Inlet
Symmetry1
Level Set Model
1 Described for the Laminar Flow interface.
Boundary conditions for axial symmetry boundaries are not required. For
the symmetry axis at r = 0, the software automatically provides a suitable
boundary condition and adds an Axial Symmetry node that is valid on the
axial symmetry boundaries only.
In the COMSOL Multiphysics Reference Manual see Table 2-3 for links
to common sections and Table 2-4 to common feature nodes. You can
also search for information: press F1 to open the Help window or Ctrl+F1
to open the Documentation window.
Level Set Model
The Level Set Model node adds the following transport equation governing a level set
function
+ u = ( 1 ) ----------
t
and provides the options to define the associated level set parameters and the velocity
field.
LEVEL SET PARAMETERS
Enter a value or expression for the Reinitialization parameter (SI unit: m/s). The
default is 1 m/s.
THE LEVEL SET INTERFACE
149
Enter a value or expression for the Parameter controlling interface thickness els
(SI unit: m). The default expression is [Link]/2, which means that the value is half
of the maximum mesh element size in the region through which the interface passes.
CONVECTION
Enter values or expressions for the components (u, v, and w in 3D, for example) of the
Velocity field u (SI unit: m/s). The applied velocity field transports the level set
function through convection.
Initial Values
Use the Initial Values node to set up the initial conditions.
INITIAL VALUES
In order to be able to use the automatic initialization, select an option from the Domain
initially: listInside interface (the default), Outside interface, or Specify level set function
explicitly if automatic initialization is not required.
) study is being used, for the
If the Transient with Phase Initialization (
initialization to work it is crucial that there are two Initial Values nodes
and one Initial Interface node. One of the Initial Values nodes should use
Domain initially: Inside interface and the other Domain initially: Outside
interface. The Initial Interface node should have all interior boundaries
where the interface is initially present as selection. If the selection of the
Initial interface node is empty, the initialization fails.
See Initializing the Level Set Function.
Inlet
The Inlet node adds a boundary condition for inlets (inflow boundaries). At inlets a
value of the level set function must be specified. Typically set to either 0 or 1.
SETTINGS
Enter a value for the Level set function value . The value must be in the range from 0
to 1, and the default is 0.
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Initial Interface
The Initial Interface node defines the boundary as the initial position of the interface
= 0.
If the Transient with Initialization (
) study is being used, for the
initialization to work it is crucial that there are two Initial Values nodes
and one Initial Interface node. One of the Initial Values nodes should use
Domain initially: Inside interface and the other Domain initially: Outside
interface. The Initial Interface node should have all interior boundaries
where the interface is initially present as selection. If the selection of the
Initial interface node is empty, the initialization fails.
See Initializing the Level Set Function.
No Flow
The No Flow node adds a boundary condition that represents boundaries where there
is no flow across the boundary. This is the default boundary condition.
THE LEVEL SET INTERFACE
151
The Phase Field Interface
The Phase Field (pf) interface (
), found under the Mathematics>Moving Interface
branch (
) when adding a physics interface, is used to track moving interfaces by
solving two transport equations, one for the phase field variable, , and one for the
mixing energy density, . The position of the interface is determined by minimizing
the free energy.
The main node is the Phase Field Model feature, which adds the phase field equations
and provides an interface for defining the phase field model properties.
When this physics interface is added, the following default nodes are also added in the
Model BuilderPhase Field Model, Wetted Wall (the default boundary condition) and
Initial Values. Then, from the Physics toolbar, add other nodes that implement, for
example, boundary conditions. You can also right-click Phase Field to select physics
features from the context menu.
SETTINGS
The Label is the default physics interface name.
The Name is used primarily as a scope prefix for variables defined by the physics
interface. Refer to such physics interface variables in expressions using the pattern
<name>.<variable_name>. In order to distinguish between variables belonging to
different physics interfaces, the name string must be unique. Only letters, numbers and
underscores (_) are permitted in the Name field. The first character must be a letter.
The default Name (for the first physics interface in the model) is pf.
DEPENDENT VARIABLES
This interface defines the dependent variables (fields) Phase field variable and Phase
field help variable . If required, edit the name, but dependent variables must be
unique within a model.
Conservative and Non-Conservative Forms
Domain, Boundary, and Pair Nodes for the Phase Field Interface
Theory for the Phase Field Interface
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CHAPTER 5: MATHEMATICS, MOVING INTERFACES
Domain, Boundary, and Pair Nodes for the Phase Field Interface
Compared to the single-phase flow interfaces, the two-phase flow
interfaces include two additional boundary conditionsthe Wall
boundary conditions Wetted wall and Moving wetted wall.
The Phase Field Interface includes the following domain, boundary, and pair nodes,
listed in alphabetical order, available from the Physics ribbon toolbar (Windows users),
Physics context menu (Mac or Linux users), or right-click to access the context menu
(all users).
In general, to add a node, go to the Physics toolbar, no matter what
operating system you are using. Subnodes are available by clicking the
parent node and selecting it from the Attributes menu.
Initial Interface
Phase Field Model
Initial Values
Symmetry1
Inlet
Wetted Wall
Outlet1
1
Described for the Laminar Flow interface.
In the COMSOL Multiphysics Reference Manual see Table 2-3 for links
to common sections and Table 2-4 to common feature nodes. You can
also search for information: press F1 to open the Help window or Ctrl+F1
to open the Documentation window.
Phase Field Model
The Phase Field Model node adds the equations described in The Equations for the
Phase Field Method. The node defines the associated phase field parameters including
surface tension and interface thickness.
THE PHASE FIELD INTERFACE
153
PHASE FIELD PARAMETERS
Define the following phase field parameters. Enter a value or expression for the:
Surface tension coefficient (SI unit: N/m).
Parameter controlling interface thickness epf (SI unit: m). The default expression is
[Link]/2, which means that the value is half of the maximum mesh element size
in the region through which the interface passes.
Mobility tuning parameter (SI unit: ms/kg). The default is 1 ms/kg, which is a
good starting point for most models. This parameter determines the time scale of
the Cahn-Hilliard diffusion and it thereby also governs the diffusion-related time
scale for the interface.
Keep the parameter value large enough to maintain a constant interface
thickness but still low enough to not damp the convective motion. A too
high mobility can also lead to excessive diffusion of droplets.
EXTERNAL FREE ENERGY
Add a source of external free energy to the phase field equations. This modifies the last
term on the right-hand side of the equation:
2
2
2
f
= + ( 1 ) + -----
The external free energy f (SI unit: J/m3) is a user-defined free energy. In most cases,
the external free energy can be set to zero. Manually differentiate the expression for
the external free energy with respect to and then enter it into the -derivative of
external free energy field f .
CONVECTION
Enter values or expressions for the components (u, v, and w in 3D, for example) of the
Velocity field u (SI unit: m/s). The applied velocity field transports the phase field
variables through convection.
Additional Sources of Free Energy
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CHAPTER 5: MATHEMATICS, MOVING INTERFACES
Initial Values
The Initial Values node adds initial values for the phase field variable and the phase field
help variable that can serve as initial conditions for a transient simulation.
IN IT IA L VA LUES
Enter initial values or expressions for the Phase field variable and the Phase field help
variable . The default values are 0.
Inlet
The Inlet feature node adds a boundary condition for inlets (inflow boundaries). At
inlets a volume fraction Vf must be specified, typically either 0 or 1. Mathematically
this boundary condition imposes
= 2V f 1 and n -----2- = 0
INLET
Specify a value of the Inlet volume fraction Vf. The value must be in the range from 0
to 1 and the default is 0.
Initial Interface
The Initial Interface node defines the boundary as the initial position of the interface
= 0.
If the Transient with Phase Initialization (
) study is being used, for the
initialization to work it is crucial that there are two Initial Values nodes and
one Initial Interface node. One of the Initial Values nodes is set to phipf
= 1 and the other to phipf = -1. The Initial Interface node should have
all interior boundaries where the interface is initially present as selection.
If the selection of the Initial Interface node is empty, the initialization
fails.
THE PHASE FIELD INTERFACE
155
Wetted Wall
The Wetted Wall node is the default boundary condition representing wetted walls.
Along a wetted wall the contact angle for the fluid, w, is specified, and across it the
mass flow is zero. This is prescribed by
2
n = cos ( w )
in combination with
n -----2- = 0
WE TTE D WA LL
Enter a value or expression for the Contact angle w. The default value is /2 rad.
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CHAPTER 5: MATHEMATICS, MOVING INTERFACES
Theory for the Level Set Interface
Fluid flow with moving interfaces or boundaries occur in a number of different
applications, such as fluid-structure interaction, multiphase flows, and flexible
membranes moving in a liquid. One way to track moving interfaces is to use a level set
method. A certain contour line of the globally defined function, the level set function,
then represents the interface between the phases. For The Level Set Interface the
fluid-fluid interface can be advected with an arbitrary velocity field.
In this section:
The Level Set Method
Conservative and Non-Conservative Form
Initializing the Level Set Function
Variables For Geometric Properties of the Interface
Reference for the Level Set Interface
The Level Set Method
The level set method is a technique to represent moving interfaces or boundaries using
a fixed mesh. It is useful for problems where the computational domain can be divided
into two domains separated by an interface. Each of the two domains can consist of
several parts. Figure 5-1 shows an example where one of the domains consists of two
separated parts. The interface is represented by a certain level set or isocontour of a
globally defined function, the level set function . In COMSOL Multiphysics, is a
smooth step function that equals zero (0) in one domain and one (1) in the other.
Across the interface, there is a smooth transition from zero to one. The interface is
defined by the 0.5 isocontour, or level set, of . Figure 5-2 shows the level set
THEORY FOR THE LEVEL SET INTERFACE
157
representation of the interface in Figure 5-1.
Figure 5-1: An example of two domains divided by an interface. In this case, one of the
domains consists of two parts. Figure 5-2 shows the corresponding level set representation.
Figure 5-2: A surface plot of the level set function corresponding to Figure 5-1.
The physics interface solves Equation 5-1 in order to move the interface with the
velocity field u:
+ u = ( 1 ) ----------
t
(5-1)
The terms on the left-hand side give the correct motion of the interface, while those
on the right-hand side are necessary for numerical stability. The parameter, ,
determines the thickness of the region where varies smoothly from zero to one and
is typically of the same order as the size of the elements of the mesh. By default, is
constant within each domain and equals the largest value of the mesh size, h, within
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CHAPTER 5: MATHEMATICS, MOVING INTERFACES
the domain. The parameter determines the amount of reinitialization or stabilization
of the level set function. It needs to be tuned for each specific problem. If is too small,
the thickness of the interface might not remain constant and oscillations in can
appear because of numerical instabilities. On the other hand, if is too large the
interface moves incorrectly. A suitable value for is the maximum magnitude of the
velocity field u.
Conservative and Non-Conservative Form
If the velocity is divergence free, that is, if
u = 0
(5-2)
the volume (area for 2D problems) bounded by the interface should be conserved if
there is no inflow or outflow through the boundaries. To obtain exact numerical
conservation, switch to the conservative form
+ ( u ) = ( 1 ) ----------
(5-3)
in Settings window for The Level Set Interface.
Using the conservative level set form, exact numerical conservation of the integral of
is obtained. However, the non-conservative form is better suited for numerical
calculations and usually converges more easily. The non-conservative form, which is
the default form, only conserves the integral of the level set function approximately,
but this is sufficient for most applications.
Initializing the Level Set Function
If the study type Transient with Phase Initialization is used in the model, the level set
variable is first initialized so that it varies smoothly between zero and one over the
interface. For that study, two study steps are created, Phase Initialization and Time
Dependent. The Phase Initialization step solves for the distance to the initial interface,
Dwi. The Time Dependent step then uses the initial condition for the level set function
according to the following expression:
1
0 = ------------------------D
1 + e wi
in domains initially outside the interface and
THEORY FOR THE LEVEL SET INTERFACE
159
1 0 = ----------------------D
1 + e wi
in domains initially inside the interface. Here, inside refers to domains where <0.5
and outside refers to domains where >0.5.
For the initialization to work it is crucial that there are two Initial Values
nodes and one Initial Interface node. One of the Initial Values nodes
should use Domain initially: Inside interface and the other Domain initially:
Outside interface. The Initial Interface node should have all interior
boundaries where the interface is initially present as selection. If the
selection of the Initial interface node is empty, the initialization fails.
The Level Set Interface
Studies and Solvers and Transient with Initialization in the COMSOL
Multiphysics Reference Manual
Variables For Geometric Properties of the Interface
Geometric properties of the interface are often needed. The unit normal to the
interface is given by
n = ---------
(5-4)
= 0.5
The curvature is defined as
= n
= 0.5
(5-5)
These variables are available in the physics interface as the interface normal and mean
curvature.
It is only possible to compute the curvature explicitly when using
second-order or higher-order elements.
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CHAPTER 5: MATHEMATICS, MOVING INTERFACES
Reference for the Level Set Interface
1. E. Olsson and G. Kreiss, A Conservative Level Set Method for Two Phase Flow,
J. Comput. Phys., vol. 210, pp. 225246, 2005.
THEORY FOR THE LEVEL SET INTERFACE
161
Theory for the Phase Field Interface
The Phase Field Interface theory is described in this section:
About the Phase Field Method
The Equations for the Phase Field Method
Conservative and Non-Conservative Forms
Additional Sources of Free Energy
Initializing the Phase Field Function
Variables and Expressions
Reference for the Phase Field Interface
About the Phase Field Method
The phase field method offers an attractive alternative to more established methods for
solving multiphase flow problems. Instead of directly tracking the interface between
two fluids, the interfacial layer is governed by a phase field variable, . The surface
tension force is added to the Navier-Stokes equations as a body force by multiplying
the chemical potential of the system by the gradient of the phase field variable.
The evolution of the phase field variable is governed by the Cahn-Hilliard equation,
which is a 4th-order PDE. The Phase Field interface decomposes the Cahn-Hilliard
equation into two second-order PDEs.
For the level set method, the fluid interface is simply advected with the flow field. The
Cahn-Hilliard equation, on the other hand, does not only convect the fluid interface,
but it also ensures that the total energy of the system diminishes correctly. The phase
field method thus includes more physics than the level set method.
The free energy of a system of two immiscible fluids consists of mixing, bulk distortion,
and anchoring energy. For simple two-phase flows, only the mixing energy is retained,
which results in a rather simple expression for the free energy.
The Equations for the Phase Field Method
The free energy is a functional of a dimensionless phase field parameter, :
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CHAPTER 5: MATHEMATICS, MOVING INTERFACES
F ( , , T ) =
--2-
1
2
+ f ( , T ) dV =
ftot dV
where is a measure of the interface thickness. Equation 5-6 describes the evolution
of the phase field parameter:
f tot
f tot
+ ( u ) =
(5-6)
where ftot (SI unit: J/m3) is the total free energy density of the system, and u
(SI unit: m/s) is the velocity field for the advection. The right-hand side of
Equation 5-6 aims to minimize the total free energy with a relaxation time controlled
by the mobility (SI unit: m3s/kg).
The free energy density of an isothermal mixture of two immiscible fluids is the sum
of the mixing energy and elastic energy. The mixing energy assumes the
Ginzburg-Landau form:
2
2
2
1
f mix ( , ) = --- + --------2- ( 1 )
2
4
where is the dimensionless phase field variable, defined such that the volume fraction
of the components of the fluid are (1+ )/2 and (1 )/2. The quantity
(SI unit: N) is the mixing energy density and (SI unit: m) is a capillary width that
scales with the thickness of the interface. These two parameters are related to the
surface tension coefficient, (SI unit: N/m), through the equation
2 2
= ----------- --3
(5-7)
The PDE governing the phase field variable is the Cahn-Hilliard equation:
+ u = G
t
(5-8)
where G (SI unit: Pa) is the chemical potential and (SI unit: m3s/kg) is the mobility.
The mobility determines the time scale of the Cahn-Hilliard diffusion and must be
large enough to retain a constant interfacial thickness but small enough so that the
convective terms are not overly damped. In COMSOL Multiphysics the mobility is
determined by a mobility tuning parameter that is a function of the interface thickness
= 2. The chemical potential is:
THEORY FOR THE PHASE FIELD INTERFACE
163
2
( 1)
G = + ---------------------2
(5-9)
The Cahn-Hilliard equation forces to take a value of 1 or 1 except in a very thin
region on the fluid-fluid interface. The Phase Field interface breaks Equation 5-8 up
into two second-order PDEs:
+ u = -----2-
t
(5-10)
= + ( 1 )
(5-11)
Conservative and Non-Conservative Forms
If the velocity field is divergence free, use the conservative formulation:
+ u = -----2-
t
Using the conservative phase field form, exact numerical conservation of the integral
of is obtained. However, the non-conservative form is better suited for numerical
calculations and usually converges more easily. The non-conservative form, which is
the default form, only conserves the integral of the phase field function approximately,
but this is sufficient for most applications.
Additional Sources of Free Energy
In some cases, the expression for the free energy can include other sources. It is
possible to incorporate these by modifying Equation 5-11:
2
f
2
2
= + ( 1 ) + -----
(5-12)
where f is a user-defined free energy (SI unit: J/m3).
The expression for the external free energy must be manually
differentiated with respect to and then entered into the f field.
In most cases, the external free energy is zero.
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CHAPTER 5: MATHEMATICS, MOVING INTERFACES
Initializing the Phase Field Function
If the study type Transient with Phase Initialization is used in the model, the phase field
variable is first initialized so that it varies smoothly between zero and one over the
interface. For this study, two study steps are created, Phase Initialization and Time
Dependent. The Phase Initialization step solves for the distance to the initial interface,
Dwi. The Time Dependent step then uses the initial condition for the phase field
function according to the following expression:
D wi
0 = tanh ----------
2
in Fluid 1 and
D wi
0 = tanh ----------
2
in Fluid 2. These expressions are based on a steady, analytic solution to Equation 5-10
and Equation 5-11 for a straight, non-moving interface.
If the Transient with Phase Initialization (
) study is being used, for the
initialization to work it is crucial that there are two Initial Values nodes and
one Initial Interface node. One of the Initial Values nodes is set to phipf
= 1 and the other to phipf = -1. The Initial Interface node should have
all interior boundaries where the interface is initially present as selection.
If the selection of the Initial Interface node is empty, the initialization
fails.
Studies and Solvers in the COMSOL Multiphysics Reference Manual
Variables and Expressions
Unlike the level set method, the phase field method does not require expressions for
the unit normal to the interface or smoothed delta functions, so they are not available
for analysis. Variables that are defined are the chemical potential, which can be
rewritten in terms of the dependent variable ,
THEORY FOR THE PHASE FIELD INTERFACE
165
G = ------2
and the surface tension force F = G .
The mean curvature (SI unit: 1/m) of the interface can be computed by entering the
following expression:
G
= 2 ( 1 + ) ( 1 ) ---
Reference for the Phase Field Interface
1. P. Yue, C. Zhou, J.J. Feng, C.F. Ollivier-Gooch, and H.H. Hu, Phase-field
Simulations of Interfacial Dynamics in Viscoelastic Fluids Using Finite Elements with
Adaptive Meshing, J. Comp. Phys., vol. 219, pp. 4767, 2006.
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CHAPTER 5: MATHEMATICS, MOVING INTERFACES
Porous Media Flow Interfaces
This chapter discusses the physics interfaces found under the Fluid Flow>Porous
Media and Subsurface Flow branch (
). See Modeling Microfluidic Fluid Flows to
help you select which physics interface to use.
In this chapter:
The Darcys Law Interface
The Brinkman Equations Interface
The Free and Porous Media Flow Interface
Theory for the Darcys Law Interface
Theory for the Brinkman Equations Interface
Theory for the Free and Porous Media Flow Interface
167
The Darcys Law Interface
The Darcys Law (dl) interface (
), found under the Porous Media and Subsurface Flow
branch (
) when adding a physics interface, is used to simulate fluid flow through
interstices in a porous medium. It can be used to model low-velocity flows or media
where the permeability and porosity are very small, and for which the pressure gradient
is the major driving force and the flow is mostly influenced by the frictional resistance
within the pores. Set up multiple Darcy's Law interfaces to model multiphase flows
involving more than one mobile phase. The Darcy's Law interface can be used for
stationary and time-dependent analyses.
The main feature is the Fluid and Matrix Properties node, which provides an interface
for defining the fluid material along with the porous medium properties.
When this physics interface is added, the following default nodes are also added in the
Model Builder Fluid and Matrix Properties, No Flow (the default boundary condition),
and Initial Values. Then, from the Physics toolbar, add other nodes that implement, for
example, boundary conditions and mass sources. You can also right-click Darcy's Law
to select physics features from the context menu.
SETTINGS
The Label is the default physics interface name.
The Name is used primarily as a scope prefix for variables defined by the physics
interface. Refer to such physics interface variables in expressions using the pattern
<name>.<variable_name>. In order to distinguish between variables belonging to
different physics interfaces, the name string must be unique. Only letters, numbers and
underscores (_) are permitted in the Name field. The first character must be a letter.
The default Name (for the first physics interface in the model) is dl.
PHYSICAL MODEL
Enter a Reference pressure level pref (SI unit: Pa). The default value is 1[atm].
DEPENDENT VARIABLES
The dependent variable (field variable) is the Pressure. The name can be changed but
the names of fields and dependent variables must be unique within a model.
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CHAPTER 6: POROUS MEDIA FLOW INTERFACES
DISCRETIZATION
To display this section, click the Show button (
) and select Discretization.
The Compute boundary fluxes check box is not activated by default. When this option
is checked, the solver computes variables storing accurate boundary fluxes from each
boundary into the adjacent domain.
If the check box is cleared, COMSOL instead computes the flux variables from the
dependent variables using extrapolation, which is less accurate in postprocessing
results, but does not create extra dependent variables on the boundaries for the fluxes.
Also the Apply smoothing to boundary fluxes check box is available if the previous check
box is checked. The smoothing can provide a better behaved flux value close to
singularities.
For details about the boundary fluxes settings, see Computing Accurate Fluxes in the
COMSOL Multiphysics Reference Manual.
The Value type when using splitting of complex variables setting should in most pure
mass transport problems be set to Real which is the default. It makes sure that the
dependent variable does not get affected by small imaginary contributions, which can
occur, for example, when combining a Time Dependent or Stationary study with a
frequency-domain study. For more information, see Splitting Complex-Valued
Variables in the COMSOL Multiphysics Reference Manual.
Domain, Boundary, Edge, Point, and Pair Nodes for the Darcys Law
Interface
Theory for the Darcys Law Interface
Physical Constants in the COMSOL Multiphysics Reference Manual
Domain, Boundary, Edge, Point, and Pair Nodes for the Darcys Law
Interface
The Darcys Law Interface has the following domain, boundary, edge, point, and pair
nodes, These nodes available from the Physics ribbon toolbar (Windows users), Physics
T H E D A R C Y S L A W I N T E R F A C E
169
context menu (Mac or Linux users), or right-click to access the context menu (all
users).
In general, to add a node, go to the Physics toolbar, no matter what
operating system you are using. Subnodes are available by clicking the
parent node and selecting it from the Attributes menu.
For axisymmetric components, COMSOL Multiphysics takes the axial
symmetry boundaries (at r = 0) into account and automatically adds an
Axial Symmetry node that is valid on the axial symmetry boundaries only.
In the COMSOL Multiphysics Reference Manual see Table 2-3 for links
to common sections and Table 2-4 to common feature nodes. You can
also search for information: press F1 to open the Help window or Ctrl+F1
to open the Documentation window.
DOMAIN
Fluid and Matrix Properties
Initial Values
Mass Source
B O U N D A R Y, E D G E , A N D PO I N T
The following nodes (listed in alphabetical order) are available on exterior boundaries:
The relevant physics interface condition at interior boundaries is continuity:
n ( 1 u1 2 u2 ) = 0
The continuity boundary condition ensures that the pressure and mass flux are
continuous. In addition, the Pressure boundary condition is available on interior
boundaries.
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CHAPTER 6: POROUS MEDIA FLOW INTERFACES
Fluid and Matrix Properties
The Fluid and Matrix Properties node adds the equations for Darcys law, Equation 6-1
and Equation 6-2(excluding any mass sources), and contains settings for the fluid
properties and the porous matrix properties such as the effective porosity.
( ) + ( u )
= Qm
t
(6-1)
u = --- p
(6-2)
FLUID PROPERTIES
Select the Fluid material to use for the fluid properties. Select Domain material (the
default) to use the material defined for the domain. Select another material to use that
materials properties for the fluid.
Density
The default Density (SI unit: kg/m3) uses values From material based on the Fluid
material selection.
For User defined enter another value or expression. The default is 0 kg/m3.
For Ideal gas it uses the ideal gas law to describe the fluid. In this case, specify the
thermodynamics properties. Select a Gas constant typeSpecific gas constant Rs (the
default) or Mean molar mass Mn (SI unit: J/(molK)). For Mean molar mass the
universal gas constant R = 8.314 J/(molK) is used as the built-in physical constant.
For both properties, the defaults use values From material. For User defined enter
another value or expression.
Dynamic Viscosity
Select a Dynamic viscosity (SI unit: Pas). The default uses values From material as
defined by the Fluid material selected. For User defined the default is 0 Pas.
MATRIX PROPERTIES
Select the material to use as porous matrix. Select Domain material from the Porous
material list (the default) to use the material defined for the porous domain. Select
another material to use that materials properties.
The default Porosity p (a dimensionless number between 0 and 1) uses the value From
material, defined by the Porous material selected. For User defined the default is 0.
T H E D A R C Y S L A W I N T E R F A C E
171
The default Permeability (SI unit: m2) uses the value From material, as defined by the
Porous material selected. For User defined select Isotropic to define a scalar value or
Diagonal, Symmetric, or Anisotropic to define a tensor value and enter another value or
expression in the field or matrix.
Mass Source
The Mass Source node adds a mass source Qm, which appears on the right-hand side of
the Darcys Law equation (Equation 6-8, the equation for porosity).
( ) + ( u )
= Qm
t
(6-3)
MASS SOURCE
Enter a value or expression for the Mass source Qm (SI unit: kg/(m3s)). The default is
0 kg/(m3s).
Initial Values
The Initial Values node adds an initial value for the pressure that can serve as an initial
condition for a transient simulation or as an initial guess for a nonlinear solver.
INITIAL VALUES
Enter a value or expression for the initial value of the Pressure p (SI unit: Pa). The
default value is 0 Pa.
Pressure
Use the Pressure node to specify the pressure on a boundary. In many cases the
distribution of pressure is known, giving a Dirichlet condition p = p0 where p0 is a
known pressure given as a number, a distribution, or an expression involving time, t,
for example.
PRESSURE
Enter a value or expression for the Pressure p0(SI unit: Pa). Enter a relative pressure
value in p0 (SI unit: Pa).
CONSTRAINT SETTINGS
To display this section, click the Show button (
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CHAPTER 6: POROUS MEDIA FLOW INTERFACES
) and select Advanced Physics Options.
Mass Flux
Use the Mass Flux node to specify the mass flux into or out of the model domain
through some of its boundaries. It is often possible to determine the mass flux from
the pumping rate or from measurements. With this boundary condition, positive
values correspond to flow into the model domain:
n --- p = N 0
where N0 is a value or expression for the specified inward (or outward) Darcy flux.
MASS FLUX
Enter a value or expression for the Inward mass flux N0. A positive value of N0
represents an inward mass flux whereas a negative value represents an outward mass
flux. The units are based on the geometric entity: Boundaries: (SI unit: kg/(m2s)),
Edges (SI unit: kg/(ms), and Points (SI unit: kg/s)).
Inlet
The Inlet node adds a boundary condition for the inflow (or outflow) perpendicular
(normal) to the boundary:
n --- p = U 0
where U0 is a value or expression for the specified inward (or outward) Darcy velocity.
A positive value of the velocity U0 corresponds to flow into the model domain whereas
a negative value represents an outflow.
INLET
Enter a value or expression for the Normal inflow velocity U0 (SI unit: m/s). A positive
value of U0 represents an inflow velocity. A negative value represents an outflow
velocity.
Symmetry
The Symmetry node describes a symmetry boundary. The following condition
implements the symmetry condition on an axis or a flow divide:
n --- p = 0
T H E D A R C Y S L A W I N T E R F A C E
173
For axisymmetric components, COMSOL Multiphysics takes the axial symmetry
boundaries (at r = 0) into account and automatically adds an Axial Symmetry node that
is valid on the axial symmetry boundaries only.
No Flow
The No Flow node is the default boundary condition stating that there is no flow across
impervious boundaries. The mathematical formulation is:
n --- p = 0
where n is the vector normal to the boundary.
Flux Discontinuity
Use the Flux Discontinuity node to specify a mass flux discontinuity through an interior
boundary. The condition is represented by the following equation:
n ( u 1 u 2 ) = N 0
In this equation, n is the vector normal (perpendicular) to the interior boundary, is
the fluid density, u1 and u2 are the Darcys velocities in the adjacent domains (as
defined in Equation 6-7) and N0 is a specified value or expression for the flux
discontinuity.
u = --- p
(6-4)
For this boundary condition, a positive value of N0 corresponds to a flow discontinuity
in the opposite direction to the normal vector of the interior boundary.
MASS FLUX
Enter a value or expression for the Inward mass flux N0 (SI unit: kg/(m2s)). A positive
value of N0 represents a mass flux discontinuity in the opposite direction to the normal
vector of the interior boundary.
Outlet
The Outlet node adds a boundary condition for the outflow (or inflow) perpendicular
(normal) to the boundary:
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CHAPTER 6: POROUS MEDIA FLOW INTERFACES
n --- p = U 0
where U0 is a specified value or expression for the outward (or inward) Darcy velocity.
A positive value of the velocity U0 corresponds to flow out of the model domain
whereas a negative value represents an inflow.
OUTLET
Enter a value or expression for the Normal outflow velocity U0 (SI unit: m/s). A positive
value of U0 represents an outflow velocity whereas a negative value represents an
inflow velocity.
T H E D A R C Y S L A W I N T E R F A C E
175
The Brinkman Equations Interface
The Brinkman Equations (br) interface (
), found under the Porous Media and
Subsurface Flow branch (
) when adding a physics interface, is used to compute fluid
velocity and pressure fields of single-phase flow in porous media in the laminar flow
regime. The physics interface extends Darcy's law to describe the dissipation of the
kinetic energy by viscous shear, similar to the Navier-Stokes equations. Fluids with
varying density can be included at Mach numbers below 0.3. Also the viscosity of a
fluid can vary, for example, to describe non-Newtonian fluids. To simplify the
equations, select the Stokes-Brinkman flow feature to reduce the dependence on
inertial effects when the Reynolds number is significantly less than 1. The physics
interface can be used for stationary and time-dependent analyses.
The main node is the Fluid and Matrix Properties feature, which adds the Brinkman
equations and provides an interface for defining the fluid material and the porous
matrix.
When this physics interface is added, the following default nodes are also added in the
Model BuilderFluid and Matrix Properties, Wall (the default boundary type, using No
slip as the default boundary condition), and Initial Values. Then, from the Physics
toolbar, add other nodes that implement, for example, boundary conditions and
volume forces. You can also right-click Brinkman Equations to select physics features
from the context menu.
The boundary conditions are essentially the same as for the Laminar Flow interface.
Differences exist for the following boundary types: Outlet, Symmetry, Open
Boundary, and Boundary Stress where the viscous part of the stress is divided by the
porosity to appear as
2
1-
T
--- ( u + ( u ) ) --- ( u )I
3
p
SETTINGS
The Label is the default physics interface name.
The Name is used primarily as a scope prefix for variables defined by the physics
interface. Refer to such physics interface variables in expressions using the pattern
<name>.<variable_name>. In order to distinguish between variables belonging to
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CHAPTER 6: POROUS MEDIA FLOW INTERFACES
different physics interfaces, the name string must be unique. Only letters, numbers and
underscores (_) are permitted in the Name field. The first character must be a letter.
The default Name (for the first physics interface in the model) is br.
PHYSICAL MODEL
This node specifies the properties of the Brinkman Equations interface, which describe
the overall type of fluid flow model.
Compressibility
By default the physics interface uses the Incompressible flow formulation of the
Brinkman equations to model constant density flow. Alternatively, select Compressible
flow (Ma<0.3) from the Compressibility list if there are small variations in the density,
typically dependent on the temperature (non-isothermal flow). For compressible flow
modeled with the Brinkman Equations interface, the Mach number must be below
0.3.
Neglect Inertial Term (Stokes-Brinkman Flow)
The Neglect inertial term (Stokes-Brinkman) check box is selected by default to model
flow at very low Reynolds numbers for which the inertial term can be neglected in the
Brinkman equations. This results in the linear Stokes-Brinkman equations.
Enable porous media domains
The Enable porous media domains check box is selected by default to solve Brinkman
equations in porous domains.
Reference Pressure Level
Enter a Reference pressure level pref (SI unit: Pa). The default value is 1[atm].
DEPENDENT VA RIA BLES
The following dependent variables (fields) are defined for this physics interfacethe
Velocity field u (SI unit: m/s) and its components, and the Pressure p (SI unit: Pa).
Domain, Boundary, Point, and Pair Nodes for the Brinkman Equations
Interface
Pseudo Time Stepping for Laminar Flow Models and Pseudo Time
Stepping in the COMSOL Multiphysics Reference Manual
Theory for the Brinkman Equations Interface
THE BRINKMAN EQUATIONS INTERFACE
177
Domain, Boundary, Point, and Pair Nodes for the Brinkman
Equations Interface
The Brinkman Equations Interface has the following domain, boundary, point, and
pair nodes, listed in alphabetical order, available from the Physics ribbon toolbar
(Windows users), Physics context menu (Mac or Linux users), or right-click to access
the context menu (all users).
In general, to add a node, go to the Physics toolbar, no matter what
operating system you are using. Subnodes are available by clicking the
parent node and selecting it from the Attributes menu.
These nodes are described in this section:
Fluid and Matrix Properties
Mass Source
Forchheimer Drag
Volume Force
Initial Values
Fluid Properties
The following nodes(listed in alphabetical order) are described for the Laminar Flow
interface :
Flow Continuity
Periodic Flow Condition
Inlet
Point Mass Source
Line Mass Source
Pressure Point Constraint
No Viscous Stress
Symmetry
Outlet
Wall
Open Boundary
In the COMSOL Multiphysics Reference Manual see Table 2-3 for links
to common sections and Table 2-4 to common feature nodes. You can
also search for information: press F1 to open the Help window or Ctrl+F1
to open the Documentation window.
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CHAPTER 6: POROUS MEDIA FLOW INTERFACES
Fluid and Matrix Properties
The Fluid and Matrix Properties node adds the Brinkman equations: Equation 6-10 and
Equation 6-11 (excluding any mass sources), and provides an interface for defining the
properties of the fluid material and the porous matrix The Forchheimer Drag subnode
is available from the context menu (right-click the parent node) or from the Physics
toolbar, Attributes menu.
FLUID PROPERTIES
The default Fluid material uses the Domain material (the material defined for the
domain). Select another material as needed.
Both the default Density (SI unit: kg/m3) and Dynamic viscosity (SI unit: Pas) use
values From material based on the Fluid material selection. For User defined enter
another value or expression. In this case, the default is 0 kg/m3 for the density and
0 Pas for the dynamic viscosity. The dynamic viscosity describes the relationship
between the shear stresses and the shear rate in a fluid. Intuitively, water and air have
a low viscosity, and substances often described as thick, such as oil, have a higher
viscosity. Non-Newtonian fluids have a viscosity that is shear-rate dependent. Examples
of non-Newtonian fluids include yoghurt, paper pulp, and polymer suspensions.
PO RO US MATR IX PRO PER TIES
The default Porous material uses the Domain material (the material defined for the
domain) for the porous matrix. Select another material as needed.
Both the default Porosity p (a dimensionless number between 0 and 1) and
Permeability (SI unit: m2) use values From material as defined by the Porous material
selection. For User defined select Isotropic, Diagonal, Symmetric, or Anisotropic based on
the characteristics of the thermal conductivity, and enter another value or expression.
The components of a permeability in the case that it is a tensor (xx, yy, and so on,
representing an anisotropic permeability) are available as [Link], [Link],
and so on (using the default name br).
Forchheimer Drag
The Forchheimer Drag subnode is available from the context menu (right-click the Fluid
and Matrix Propertiesparent node) or from the Physics toolbar, Attributes menu. While
the drag of the fluid on the porous matrix in the basic Brinkman equations is
proportional to the flow velocity, (Darcys law drag), the Forchheimer drag is
proportional to the square of the fluid velocity. The latter term accounts for an inertial
THE BRINKMAN EQUATIONS INTERFACE
179
turbulent drag effect that comes into play for fast flows through large pores. Adding
the Forchheimer term takes into account all drag contributions that the Ergun
equation covers.
FORCHHEIMER DRAG
Enter a value for the Forchheimer coefficient F (SI unit: kg/m4). The default is
0 kg/m4.
Mass Source
The Mass Source node adds a mass source (or mass sink) Qbr to the right-hand side of
the continuity equation: Equation 6-10. This term accounts for mass deposit and/or
mass creation in porous domains. The physics interface assumes that the mass
exchange occurs at zero velocity.
( ) + ( u ) = Q br
t p
(6-5)
DOMAIN SELECTION
Only Porous Matrix domains are available.
MASS SOURCE
Enter a value or expression for the Source term Qbr (SI unit: kg/(m3s)). The default
is 0 kg/(m3s).
Volume Force
Use the Volume Force node to specify the force F on the right-hand side of
Equation 6-11. It then acts on each fluid element in the specified domains. A common
application is to include gravity effects.
- u
u
---+ ( u ) ----- =
p t
p
(6-6)
Q br
1
1
T
2
- u + F
p + ----- ( u + ( u ) ) --- ( u )I + -------p
3
p2
VO L U M E F O R C E
Enter the components of Volume force F (SI unit: N/m3).
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CHAPTER 6: POROUS MEDIA FLOW INTERFACES
Initial Values
The Initial Values node adds initial values for the velocity field and the pressure that can
serve as an initial condition for a transient simulation or as an initial guess for a
nonlinear solver.
IN IT IA L VA LUES
Enter initial values or expressions for the Velocity field u (SI unit: m/s) and the Pressure
p (SI unit: Pa). The default values are 0 m/s and 0 Pa, respectively.
Fluid Properties
The Fluid Properties node adds the momentum and continuity equations to solve for
free flow in non-porous domains. The node also provides an interface for defining the
material properties of the fluid.
MODEL INPUTS
Fluid properties, such as density and viscosity, can be defined through user inputs,
variables or by selecting a material. For the latter option, additional inputs, for example
temperature and/or pressure, may be required to define these properties.
Temperature
By default, the single-phase flow interfaces are set to model isothermal flow. Hence,
the Temperature is User defined and defaults to 293.15 K. If a Heat Transfer interface
is included in the component, the temperature may alternatively be selected from this
physics interface. All physics interfaces have their own tags (Name). For example, if a
Heat Transfer in Fluids interface is included in the component, the Temperature (ht)
option is available.
Absolute Pressure
This input appears when a material requires the absolute pressure as a model input.
The absolute pressure is used to evaluate material properties, but it also relates to the
value of the calculated pressure field. There are generally two ways to calculate the
pressure when describing fluid flow: either to solve for the absolute pressure or for a
pressure (often denoted gauge pressure) that relates to the absolute pressure through
a reference pressure.
The choice of pressure variable depends on the system of equations being solved. For
example, in a unidirectional incompressible flow problem, the pressure drop over the
modeled domain is probably many orders of magnitude smaller than the atmospheric
THE BRINKMAN EQUATIONS INTERFACE
181
pressure, which, when included, may reduce the stability and convergence properties
of the solver. In other cases, such as when the pressure is part of an expression for the
gas volume or the diffusion coefficients, it may be more convenient to solve for the
absolute pressure.
The default Absolute pressure pA is p+pref where p is the dependent pressure variable
from the Navier-Stokes equations, and pref is from the user input defined at the physics
interface level. When pref is non zero, the physics interface solves for a gauge pressure.
If the pressure field instead is an absolute pressure field, pref should be set to 0.
The Absolute pressure field can be edited by clicking Make All Model Inputs Editable
(
) and entering the desired value in the input field.
FLUID PROPERTIES
If density variations with respect to pressure are to be included in the computations,
the flow must be set to compressible.
The Dynamic viscosity describes the relationship between the shear rate and the shear
stresses in a fluid. Intuitively, water and air have low viscosities, and substances often
described as thick (such as oil) have higher viscosities.
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CHAPTER 6: POROUS MEDIA FLOW INTERFACES
The Free and Porous Media Flow
Interface
The Free and Porous Media Flow (fp) interface (
), found under the Porous Media and
Subsurface Flow branch (
) when adding a physics interface, is used to compute fluid
velocity and pressure fields of single-phase flow where free flow is connected to porous
media. The Free and Porous Media Flow interface is used over at least two different
domains: a free channel and a porous medium. The physics interface is well suited for
transitions between slow flow in porous media, governed by the Brinkman equations,
and fast flow in channels described by the Navier-Stokes equations. Fluids with varying
density can be included at Mach numbers below 0.3. Also the viscosity of a fluid can
vary, for example, to describe non-Newtonian fluids. The physics interface can be used
for stationary and time-dependent analyses.
When this physics interface is added, the following default nodes are also added in the
Model Builder Fluid Properties, Wall, and Initial Values. Then, from the Physics toolbar,
add a Porous Matrix Properties node to be used on the domain selection corresponding
to the porous media, or add other nodes that implement, for example, boundary
conditions and volume forces. You can also right-click Free and Porous Media Flow to
select physics features from the context menu.
SETTINGS
The Label is the default physics interface name.
The Name is used primarily as a scope prefix for variables defined by the physics
interface. Refer to such physics interface variables in expressions using the pattern
<name>.<variable_name>. In order to distinguish between variables belonging to
different physics interfaces, the name string must be unique. Only letters, numbers and
underscores (_) are permitted in the Name field. The first character must be a letter.
The default Name (for the first physics interface in the model) is fp.
PHYSICAL MODEL
Compressibility
By default the physics interface uses the Incompressible flow formulation of the
Navier-Stokes and Brinkman equations to model constant density flow. If required,
select Compressible flow (Ma<0.3) from the Compressibility list, to account for small
THE FREE AND POROUS MEDIA FLOW INTERFACE
183
variations in the density, typically dependent on the temperature (non-isothermal
flow). For compressible flow modeled with this physics interface, the Mach number
must be below 0.3.
Neglect Inertial Term
Select the Neglect inertial term in free flow (Stokes flow) check box if the inertial forces
are small compared to the viscous forces. This is typical for creeping flow, where
Re 1 .
Select the Neglect inertial term in porous media flow (Stokes-Brinkman) check box to
model flow at very low Reynolds numbers in the porous media, for which the inertial
term in the Brinkman equations can be neglected. The physics interface then solves the
linear Stokes-Brinkman equations.
Reference Pressure Level
Enter a Reference pressure level pref (SI unit: Pa). The default value is 1[atm].
DEPENDENT VARIABLES
The following dependent variables (fields) are defined for this physics interfacethe
Velocity field u (SI unit: m/s) and its components, and the Pressure p (SI unit: Pa).
Domain, Boundary, Point, and Pair Nodes for the Free and Porous
Media Flow Interface
Theory for the Free and Porous Media Flow Interface
Domain, Boundary, Point, and Pair Nodes for the Free and Porous
Media Flow Interface
The Free and Porous Media Flow Interface has the following domain, boundary,
point, and pair nodes, listed in alphabetical order, available from the Physics ribbon
toolbar (Windows users), Physics context menu (Mac or Linux users), or right-click to
access the context menu (all users).
In general, to add a node, go to the Physics toolbar, no matter what
operating system you are using. Subnodes are available by clicking the
parent node and selecting it from the Attributes menu.
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CHAPTER 6: POROUS MEDIA FLOW INTERFACES
Fluid Properties
Microfluidic Wall Conditions
Forchheimer Drag
Porous Matrix Properties
Initial Values
Volume Force
Mass Source
The following nodes (listed in alphabetical order) are described for the Laminar Flow
interface:
No Viscous Stress
Periodic Flow Condition
Flow Continuity
Point Mass Source
Inlet
Pressure Point Constraint
Line Mass Source
Symmetry
Outlet
Wall
Open Boundary
In the COMSOL Multiphysics Reference Manual see Table 2-3 for links
to common sections and Table 2-4 to common feature nodes. You can
also search for information: press F1 to open the Help window or Ctrl+F1
to open the Documentation window.
Fluid Properties
Use the Fluid Properties node to define the fluid material, density, and dynamic
viscosity.
FLUID PROPERTIES
The default Fluid material uses the Domain material (the material defined for the
domain). Select another material as needed.
The default Density (SI unit: kg/m3) uses values From material based on the Fluid
material selection. For User defined enter another value or expression. The default is
0 kg/m3.
The Dynamic viscosity (SI unit: Pas) uses values From material based on the Fluid
material selection. For User defined enter another value or expression. The default is
0 Pas.
THE FREE AND POROUS MEDIA FLOW INTERFACE
185
Porous Matrix Properties
Use the Porous Matrix Properties node to define which domains contain porous
material and to define the porous matrix properties, such as the porosity and
permeability in these domains. The Forchheimer Drag subnode is available from the
context menu (right-click the parent node) or from the Physics toolbar, Attributes
menu.
DOMAIN SELECTION
Choose domains from the Selection list, to solve for porous media flow governed by
the Brinkman equations. In the domains not selected, the Free and Porous Media Flow
interface solves for laminar flow governed by the Navier-Stokes (or Stokes) equations.
POROUS MATRIX PROPER TIES
The default Porous material uses the Domain material (the material defined for the
domain) for the porous matrix. Select another material as needed.
Porosity
The default Porosity p (a dimensionless number between 0 and 1) uses values From
material as defined by the Porous material selection. For User defined enter another
value or expression. The default is 0.
Permeability
The default Permeability br (SI unit: m2) uses values From material as defined by the
Porous material selection. For User defined select Isotropic, Diagonal, Symmetric, or
Anisotropic from the list and then enter other values or expressions. The components
of a permeability in the case that it is a tensor (xx, yy, and so on, representing an
anisotropic permeability) are available as [Link], [Link], and so on (using
the default name fp). The defaults is 0 m2.
Source Term
Enter a value or expression for an optional mass source (or sink) Source term Qbr (SI
unit: kg/(m3s)). This term accounts for mass deposit and mass creation within
domains. The physics interface assumes that the mass exchange occurs at zero velocity.
Volume Force
The Volume Force node specifies the force F on the right-hand side of the
Navier-Stokes or Brinkman equations, depending on whether the Porous Matrix
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CHAPTER 6: POROUS MEDIA FLOW INTERFACES
Properties node is active for the domain. Use it, for example, to incorporate the effects
of gravity in a model.
VO L U M E F O R C E
Enter the components of the Volume force F (SI unit: N/m3).
Forchheimer Drag
The Forchheimer Drag subnode is available from the context menu (right-click the
Porous Matrix Properties parent node) or from the Physics toolbar, Attributes menu.
It can be used on the domain selection that corresponds to the porous medium. For
the Brinkman equations the drag of the fluid on the porous matrix is proportional to
the flow velocity, in the same way as for Darcys law. Add a Forchheimer drag,
proportional to the square of the fluid velocity, as needed.
FORCHHEIMER DRAG
Enter a value for the Forchheimer coefficient F (SI unit: kg/m4).
Initial Values
The Initial Values node adds initial values for the velocity field and the pressure that can
serve as an initial condition for a transient simulation or as an initial guess for a
nonlinear solver.
IN IT IA L VA LUES
Enter initial values or expressions for the Velocity field u (SI unit: m/s) and for the
Pressure p (SI unit: Pa). The default values are 0 m/s and 0 Pa, respectively.
Microfluidic Wall Conditions
Use the Microfluidic Wall Conditions node to add boundary conditions to the moving
wall and specify whether to use viscous slip or thermal creep.
BOUNDARY CONDITION
The default Boundary condition for the wall is Slip velocity. Enter values or expressions
for the components of the Velocity of moving wall uw (SI unit: m/s).
THE FREE AND POROUS MEDIA FLOW INTERFACE
187
Use Viscous Slip
Select the Use viscous slip check box to define the slip length:
The default is User defined. Enter a value for Ls (SI unit: m). The default is 1e-7 m.
Select Maxwells model to calculate it from:
2 v
L s = ---------------
v
Then enter values or expressions for the Tangential momentum accommodation
coefficient (TMAC) av (dimensionless) (the default is 0.9) and the Mean free path
(SI unit: m) (the default is 1e-6 m).
Use Thermal Creep
Select the Use thermal creep check box to activate the thermal creep component of the
boundary condition. Enter the fluids Temperature T (SI unit: K) and the Thermal slip
coefficient T. The default temperature is 293.15 K and the default thermal slip
coefficient is 0.75.
If you also have a license for the MEMS Module, an additional Boundary condition
option Electroosmotic velocity is available. This is described in the MEMS Module
Users Guide.
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CHAPTER 6: POROUS MEDIA FLOW INTERFACES
Theory for the Darcys Law Interface
The Darcys Law Interface theory is described in this section.
In a porous medium, the global transport of momentum by shear stresses in the fluid
is often negligible: the pore walls impede momentum transport between fluid
occupying different pores. In most applications, a detailed description of the resolution
of every pore is not practical. A homogenization of the porous and fluid media into a
single medium is a common alternative approach. Darcys law, together with the
continuity equation and equation of state for the pore fluid provides a complete
mathematical model suitable for a variety of applications involving porous media flows
when the pressure gradient is the major driving force.
Darcys LawEquation Formulation
Darcys law states that the velocity field is determined by the pressure gradient, the
fluid viscosity, and the structure of the porous medium:
u = --- p
(6-7)
In this equation, (SI unit: m2) denotes the permeability of the porous medium,
(SI unit: kg/(ms)) the dynamic viscosity of the fluid, p (SI unit: Pa) the pressure, and
u (SI unit: m/s) the Darcy velocity. The Darcys Law interface combines Darcys law
with the continuity equation:
( ) + ( u )
= Qm
t
(6-8)
In the above equation, (SI unit: kg/m3) is the density of the fluid, (dimensionless)
is the porosity, and Qm (SI unit: kg/(m3s)) is a mass source term. Porosity is defined
as the fraction of the control volume that is occupied by pores. Thus, the porosity can
vary from zero for pure solid regions to unity for domains of free flow.
If the Darcys Law interface is coupled to an energy balance, then the fluid density can
be a function of the temperature, pressure, and composition (for mixture flows). For
gas flows in porous media, the relation is given by the ideal gas law:
pM
= --------RT
(6-9)
T H E O R Y F O R T H E D A R C Y S L A W I N T E R F A C E
189
where R= 8.314 J/(molK) is the universal gas constant, M (SI unit: kg/mol) is the
molecular weight of the gas, and T (SI unit: K) is the temperature.
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CHAPTER 6: POROUS MEDIA FLOW INTERFACES
Theory for the Brinkman Equations
Interface
The Brinkman Equations Interface theory is described in this section:
About the Brinkman Equations
Brinkman Equations Theory
References for the Brinkman Equations Interface
About the Brinkman Equations
The Brinkman equations describe fluids in porous media for which the momentum
transport within the fluid due to shear stresses is of importance. This mathematical
model extends Darcys law to include a term that accounts for the viscous transport in
the momentum balance, and it treats both the pressure and the flow velocity vector as
independent variables. Use the Free and Porous Media Flow interface to model
combinations of porous media and free flow domains. These types of problems are
often encountered in applications such as monolithic reactors and fuel cells.
The Free and Porous Media Flow Interface
In porous domains, the flow variables and fluid properties are defined at any point
inside the medium by means of averaging of the actual variables and properties over a
certain volume surrounding the point. This control volume must be small compared
to the typical macroscopic dimensions of the problem, but it must be large enough to
contain many pores and solid matrix elements.
Porosity is defined as the fraction of the control volume that is occupied by pores.
Thus, the porosity can vary from zero for pure solid regions to unity for domains of
free flow.
The physical properties of the fluid, such as density and viscosity, are defined as
intrinsic volume averages that correspond to a unit volume of the pores. Defined this
way, they present the relevant physical parameters that can be measured experimentally,
and they are assumed to be continuous with the corresponding parameters in the
adjacent free flow.
THEORY FOR THE BRINKMAN EQUATIONS INTERFACE
191
The flow velocity is defined as a superficial volume average, and it corresponds to a
unit volume of the medium including both the pores and the matrix. It is sometimes
called the Darcy velocity, defined as the volume flow rate per unit cross section of the
medium. Such a definition makes the velocity field continuous across the boundaries
between porous regions and regions of free flow.
Brinkman Equations Theory
The dependent variables in the Brinkman equations are the Darcy velocity and the
pressure. The flow in porous media is governed by a combination of the continuity
equation and the momentum equation, which together form the Brinkman equations:
( ) + ( u ) = Q br
t p
(6-10)
- u
u
---+ ( u ) ----- =
p t
p
(6-11)
Q br
1
2
T
- u + F
p + ----- ( u + ( u ) ) --- ( u )I 1 + -------p
3
p2
In these equations:
(SI unit: kg/(ms)) is the dynamic viscosity of the fluid
u (SI unit: m/s) is the velocity vector
(SI unit: kg/m3) is the density of the fluid
p (SI unit: Pa) is the pressure
p is the porosity
(SI unit: m2) is the permeability tensor of the porous medium, and
Qbr (SI unit: kg/(m3s)) is a mass source or mass sink
Influence of gravity and other volume forces can be accounted for via the force term
F (SI unit: kg/(m2s2)).
When the Neglect inertial term (Stokes-Brinkman) check box is selected, the term
(u )(u/p) on the left-hand side of Equation 6-11 is disabled.
The mass source, Qbr, accounts for mass deposit and mass creation within the domains.
The mass exchange is assumed to occur at zero velocity.
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CHAPTER 6: POROUS MEDIA FLOW INTERFACES
The Forchheimer drag option, F (SI unit: kg/m4), adds a viscous force proportional
to the square of the fluid velocity, FF = F|u|u, to the right-hand side of
Equation 6-11.
In case of a flow with variable density, Equation 6-10 and Equation 6-11 must be
solved together with the equation of state that relates the density to the temperature
and pressure (for instance the ideal gas law).
For incompressible flow, the density stays constant in any fluid particle, which can be
expressed as
( ) + u = 0
t p
and the continuity equation (Equation 6-10) reduces to
u = Q br
References for the Brinkman Equations Interface
1. D. Nield and A. Bejan, Convection in Porous Media, 3rd ed., Springer, 2006.
2. M. Le Bars and M.G. Worster, Interfacial Conditions Between a Pure Fluid and a
Porous Medium: Implications for Binary Alloy Solidification, J. of Fluid Mechanics,
vol. 550, pp. 149173, 2006.
THEORY FOR THE BRINKMAN EQUATIONS INTERFACE
193
Theory for the Free and Porous
Media Flow Interface
The Free and Porous Media Flow Interface uses the Navier-Stokes equations to
describe the flow in open regions, and the Brinkman equations to describe the flow in
porous regions.
The same fields, u and p, are solved for in both the free flow domains and in the porous
domains. This means that the pressure in the free fluid and the pressure in the pores is
continuous over the interface between a free flow domain and a porous domain. It also
means that continuity is enforced between the fluid velocity in the free flow and the
Darcy velocity in the porous domain. This treatment is one of several possible models
for the physics at the interface. Examples of other models can be found in Ref. 1.
The continuity in u and p implies a stress discontinuity at the interface between a
free-flow domain and a porous domain. The difference corresponds to the stress
absorbed by the rigid porous matrix, which is a consequence implicit in the
formulations of the Navier-Stokes and Brinkman equations.
Reference for the Free and Porous Media Flow Interface
1. M.L. Bars and M.G. Worster, Interfacial Conditions Between a Pure Fluid and a
Porous Medium: Implications for Binary Alloy Solidification, J. Fluid Mech.,
vol. 550, pp. 149173, 2006.
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CHAPTER 6: POROUS MEDIA FLOW INTERFACES
Rarefied Flow Interface
This chapter describes the physics interface available to model the flow of rarefied
gases. The physics interface is found under the Fluid Flow>Rarefied Flow
branch (
). See Modeling Microfluidic Fluid Flows to help select the physics
interface to use.
The Slip Flow Interface
Theory for the Slip Flow Interface
195
T he S li p Flo w In t erface
The Slip Flow (slpf) interface (
), found under the Rarefied Flow branch (
) when
adding a physics interface, is used to model thermal and isothermal flows within the
slip flow regime. In the slip flow regime, the Navier-Stokes equations can be used to
model the flow of the gas, except within a thin layer of rarefied gas adjacent to the walls
(known as the Knudsen layer). The effect of the Knudsen layer on the continuum part
of the flow can be modeled by means of modified boundary conditions for the Navier
Stokes equations. Thermal effects are also important in this regime, with effects such
as thermal creep or transpiration often playing a significant role. For this reason the
Slip Flow interface includes the heat flow equations. Typically slip flow applies at
Knudsen numbers between 0.01 and 0.1.
When this physics interface is added, these default nodes are also added to the Model
BuilderFluid, External Slip Wall, and Initial Values. Then, from the Physics toolbar, add
other nodes that implement, for example, boundary conditions and volume forces.
You can also right-click Slip Flow to select physics features from the context menu.
SETTINGS
The Label is the default physics interface name.
The Name is used primarily as a scope prefix for variables defined by the physics
interface. Refer to such physics interface variables in expressions using the pattern
<name>.<variable_name>. In order to distinguish between variables belonging to
different physics interfaces, the name string must be unique. Only letters, numbers and
underscores (_) are permitted in the Name field. The first character must be a letter.
The default Name (for the first physics interface in the model) is slpf.
PHYSICAL MODEL
Select the Neglect inertial term (Stokes flow) check box to model flow at very low
Reynolds numbers where the inertial term in the Navier-Stokes equations can be
neglected. When this option is checked COMSOL Multiphysics solves the linear
Stokes equations for the fluid flow. The Stokes flow or creeping flow regime frequently
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CHAPTER 7: RAREFIED FLOW INTERFACE
applies in microfluidic devices, where the flow length scales are very small. Enter a
Reference pressure level pref (SI unit: Pa). The default value is 1[atm].
If you have the Heat Transfer Module, additional check boxes are
available. See the Heat Transfer Module Users Guide for information.
DEPENDENT VA RIA BLES
This physics interface defines these dependent variables (fields):
Temperature T (SI unit: K)
Velocity field u (SI unit: m/s)
Pressure p (SI unit: Pa)
For each of the dependent variables, the name can be changed in the corresponding
field, but the name of fields and dependent variables must be unique within a model.
ADVANCED SETTINGS
To display this section, click the Show button (
) and select Advanced Physics Options.
Normally these settings do not need to be changed. The Default model is Fluid.
Select the Use pseudo time stepping for stationary equation form check box to add
pseudo time derivatives to the equation when the Stationary equation form is used.
When selected, also choose a CFL number expressionAutomatic (the default) or
Manual. Automatic calculates the local CFL number (from the CourantFriedrichs
Lewy condition) from a built-in expression. For Manual enter a Local CFL number
CFLloc.
By default the Enable conversions between material and spatial frames check box is
selected.
In the COMSOL Multiphysics Reference Manual see Table 2-3 for links
to common sections and Table 2-4 to common feature nodes. You can
also search for information: press F1 to open the Help window or Ctrl+F1
to open the Documentation window.
THE SLIP FLOW INTERFACE
197
Domain, Boundary, Edge, Point, and Pair Nodes for the Slip Flow
Interface
Theory for the Slip Flow Interface
In the COMSOL Multiphysics Reference Manual:
Pseudo Time Stepping for Laminar Flow Models
Handling Frames in Heat Transfer
Slip Flow Benchmark: Application Library path
Microfluidics_Module/Rarefied_Flow/slip_flow_benchmark
Domain, Boundary, Edge, Point, and Pair Nodes for the Slip Flow
Interface
The Slip Flow Interface has these domain, boundary, edge, point, and pair nodes
available from the Physics ribbon toolbar (Windows users), Physics context menu (Mac
or Linux users), or right-click to access the context menu (all users)..
In general, to add a node, go to the Physics toolbar, no matter what
operating system you are using. Subnodes are available by clicking the
parent node and selecting it from the Attributes menu.
For axisymmetric components, COMSOL Multiphysics takes the axial
symmetry boundaries (at r = 0) into account and automatically adds an
Axial Symmetry node to the component that is valid on boundaries that
represent the symmetry axis.
These nodes are available and described in this section (listed in alphabetical order):
Continuity
Periodic Condition
External Slip Wall
Slip Wall
Fluid
Symmetry
Initial Values
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CHAPTER 7: RAREFIED FLOW INTERFACE
H E A T TR A N S F E R I N F L U I D S S U B M E N U
These nodes and one subnode are described for the Heat Transfer interface in the
COMSOL Multiphysics Reference Manual (listed in alphabetical order):
Boundary Heat Source
Point Heat Source
Heat Flux
Diffuse Surface
Heat Source
Temperature
Heat Transfer in Solids
Thermal Insulation
Line Heat Source
Thin Layer
Outflow
Translational Motion
LAMINAR FLOW SUBMENU
These nodes are described for the Laminar Flow interface in this guide (listed in
alphabetical order):
Boundary Stress
Point Mass Source
Inlet
Pressure Point Constraint
Line Mass Source
Volume Force
Open Boundary
Wall
Outlet
In the COMSOL Multiphysics Reference Manual see Table 2-3 for links
to common sections and Table 2-4 to common feature nodes. You can
also search for information: press F1 to open the Help window or Ctrl+F1
to open the Documentation window.
Fluid
The Fluid node prescribes its domains to be a fluid by adding momentum and energy
transport equations.
THE SLIP FLOW INTERFACE
199
HEAT CONDUCTION, FLUID
The default uses the Thermal conductivity k (SI unit: W/(mK)) From material. For User
defined, select Isotropic, Diagonal, Symmetric, or Anisotropic based on the characteristics
of the thermal conductivity and enter another value or expression in the field or matrix.
The thermal conductivity describes the relationship between the heat flux
vector q and the temperature gradient T as in q = kT which is
Fouriers law of heat conduction. Enter this quantity as power per length
and temperature.
THERMODYNAMICS, FLUID
The Fluid type defaults to Gas/Liquid.
By default the Density (SI unit: kg/m3), Heat capacity at constant pressure Cp
(SI unit: J/(kgK)), and Ratio of specific heats (dimensionless) take values From
material. For User defined to enter other values or expressions.
DYNAMIC VISCOSITY
The default Dynamic viscosity (SI unit: Pas) is taken From material. Or select
Non-Newtonian power law, Non-Newtonian Carreau model, or User defined. For User
defined it uses a built-in variable for the shear rate magnitude, [Link], which makes it
possible to define arbitrary expressions of the dynamic viscosity.
External Slip Wall
Use the External Slip Wall node to specify a wall with slip when the adjacent wall is
external to the whole geometry. The wall temperature, wall velocity, and slip
coefficients are specified.
SLIP WALL
Enter the components for the Velocity of moving wall uw (SI unit: m/s). the defaults
are 0 m/s
Enter a value or expression for the Wall temperature Tw (SI unit: K). the default is
293.15 K.
Select the Slip coefficientsMaxwells model (the default) or User defined.
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CHAPTER 7: RAREFIED FLOW INTERFACE
Maxwells Model
For Maxwells Model enter values or expressions for the Tangential momentum
accommodation coefficient av (dimensionless). The tangential accommodation
coefficients are typically in the range of 0.85 to 1.0 and can be found in Ref. 4.
User defined
For User defined select a Mean free path definitionStandard (the default) or Alternate
(Shapirov). Then enter values for the following. Note that the defaults are different
based on the Mean free path definition chosen.
Thermal slip coefficient T. The defaults are 0.97 for Standard and 1.1 for Alternate
(Shapirov).
Viscous slip coefficient S. The defaults are 0.89 for Standard and 1 for Alternate
(Shapirov).
Temperature jump coefficient T. The defaults are 1.73 for Standard and 1.95 for
Alternate (Shapirov).
Theoretical and experimental values of these coefficients for various gas
surface combinations are available in Ref. 5. Note that it is more
convenient to use the Alternative (Shapirov) mean free path definition
when using this data.
Initial Values
The Initial Values node adds initial values for the velocity field, pressure, and
temperature. For the transient solver, these values define the state of the problem at
the initial time step; for the stationary solver, they serve as a starting point for the
nonlinear solver.
IN IT IA L VA LUES
Enter values or expressions for the initial estimate the solver uses for the Velocity field u
(SI unit: m/s), Pressure p (SI unit: Pa), and Temperature T (SI unit: K).
Slip Wall
Use the Slip Wall node to specify a wall with slip adjacent to a solid region in which the
heat transfer equations are solved. A wall velocity can be specified along with the slip
coefficients.
THE SLIP FLOW INTERFACE
201
SLIP WALL
Enter the components for the Velocity of moving wall uw (SI unit: m/s). Select the Slip
coefficientsMaxwells model (the default) or User defined. These settings are the same
as for External Slip Wall.
Periodic Condition
The Periodic Condition node applies periodic boundary conditions for both the fluid
flow and/or the heat transfer equations, as appropriate.
CONSTRAINT SETTINGS
To display this section, click the Show button (
) and select Advanced Physics Options.
Symmetry
The Symmetry node applies symmetry conditions for both the fluid flow flow and/or
the heat transfer equations, as appropriate.
CONSTRAINT SETTINGS
To display this section, click the Show button (
) and select Advanced Physics Options.
Continuity
The Continuity node can be added to pairs. It prescribes that the temperature field is
continuous across the pair. Continuity is only suitable for pairs where the boundaries
match.
Since it is not usual to use an assembly to represent the fluid flow domains, Continuity
is only appropriate between two domains in which Heat Transfer in Solids applies.
CONSTRAINT SETTINGS
To display this section, click the Show button (
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CHAPTER 7: RAREFIED FLOW INTERFACE
) and select Advanced Physics Options.
Theory for the Slip Flow Interface
The Slip Flow Interface theory is described in this section:
Slip Flow Boundary Conditions
References for the Slip Flow Interface
If you have the Heat Transfer Module, the Highly Conductive Layer node
(and subnodes) is also available. The feature and the background theory
is described in the Heat Transfer Module Users Guide.
Slip Flow Boundary Conditions
Maxwell was the first person to consider the boundary conditions required for the
solution of the Boltzmann equation in the case of a slightly rarefied gas (Ref. 1). The
boundary conditions he derived can be used as boundary conditions for the Navier
Stokes equations in the slip flow regime, although Maxwell considered the particular
case of a monatomic hard-sphere gas, so some generalization is required.
Maxwells boundary condition takes the form:
G
3
T
8
u slip = ---- ( n ( ( n n )n ) ) + --- ---------- [ n ( n ) ] T g --- G ( n T g )
4 T g
3
(7-1)
where uslip is the slip velocity, n is the boundary normal, is the viscous stress tensor,
is the viscosity of the gas, is its density, and Tg is its temperature. The factor G
(which has dimensions of length) is given by:
2 av
G = ---------------
av
where is the mean free path and av is the tangential momentum accommodation
coefficient (for a model in which the surface reflects some molecules diffusely and
THEORY FOR THE SLIP FLOW INTERFACE
203
some secularly, this is equivalent to the fraction of molecules which are reflected
diffusely).
A slightly different definition of the mean free path is used here: in terms
of Maxwells original parameter, l, the mean free path is = 2l/3. In
Maxwells original paper, he uses a coordinate based notation, the vector
notation is available in Ref. 2.
In Equation 7-1 the left-hand term represents the phenomena of viscous slip, whilst
the right-hand term produces thermal slip or transpiration. Maxwell was aware that the
temperature of the gas was not necessarily equal to that of the wall but formulated the
boundary condition using only the gas temperatures. When the wall temperature is
included, the following equations are obtained (Ref. 2 and Ref. 3):
u slip = s --- ( n ( ( n n )n ) ) + T ---------- [ T w ( n T w )n ]
T g
T w = T g T n T g
where Tw is the wall temperature, s is the viscous slip coefficient, T is the thermal
slip coefficient, and T is the temperature jump coefficient. Within a generalized
Maxwells model the three coefficients s, T, and T are given by:
2 av
s = --------------av
3
T = --4
2 a v 2
= --------------- ------------ ----------a v + 1 C p
(7-2)
where is the thermal conductivity of the gas. The mean free path can be computed
from the gas properties using the following equation (Ref. 3):
2
= ---------- c
8p
8RT 1 2
= -------
c = ------------
M n
consequently:
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CHAPTER 7: RAREFIED FLOW INTERFACE
12
(7-3)
----------
2p
In some cases an alternative definition of the mean free path, , is used (as, for
example, in Ref. 5):
' = -------
2
It is possible to use this definition of the mean free path when entering user defined
values for the slip coefficients.
Values of the parameters given in Equation 7-2, are available in Ref. 5,
although care should be taken with the slip and temperature jump
coefficients to adjust for differences between the authors definition of
the mean free path and that used in COMSOL Multiphysics.
Also note that the formulation assumes that the ideal gas laws apply. This
assumption is implicit in the derivation of the above equations (Ref. 3)
and at the level of approximation of the equations is reasonable.
For mixtures of gases in which concentration gradients exist an additional
term should be added to the slip on the wall. At present this feature is not
implemented in COMSOL.
References for the Slip Flow Interface
1. J.C. Maxwell, On Stresses in Rarefied Gases Arising from Inequalities of
Temperature, Phil. Trans. R. Soc. Lond., vol. 170, pp. 231256, 1879.
2. D.A. Lockerby, J. M. Reese, D.R. Emerson, and R.W. Barber, Velocity Boundary
Condition at Solid Walls in Rarefied Gas Calculations, Phys. Rev. E, vol. 70, 017303,
2004.
3. E.H. Kennard, Kinetic Theory of Gases, McGraw-Hill, New York, 1938.
4. G. Kariadakis, A. Beskok, and N. Aluru, Microflows and Nanoflows, Springer
Science and Business Media, 2005.
5. F. Sharipov, Data on the Velocity Slip and Temperature Jump on a Gas-Solid
Interface, J. Phys. Chem. Ref. Data, vol. 40, no. 2, 023101, 2011.
THEORY FOR THE SLIP FLOW INTERFACE
205
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CHAPTER 7: RAREFIED FLOW INTERFACE
Chemical Species Transport Interfaces
The Microfluidics Module has an enhanced version of the Transport of Diluted
Species interface that is available with the basic COMSOL Multiphysics license.
In addition, the Transport of Diluted Species in Porous Media interface is available.
Both physics interfaces are found under the Chemical Species Transport
branch (
).
In this chapter:
The Transport of Diluted Species Interface
The Transport of Diluted Species in Porous Media Interface
Theory for the Transport of Diluted Species Interface
207
T he T r a ns po r t of D i l u t ed Sp eci es
Interface
The Transport of Diluted Species (tds) interface (
), found under the Chemical Species
), is used to calculate the concentration field of a dilute solute in
a solvent. Transport and reactions of the species dissolved in a gas, liquid or solid can
be handled with this interface. The driving forces for transport can be diffusion by
Ficks law, convection when coupled to a flow field, and migration, when coupled to
an electric field.
Transport branch (
The interface supports simulation of transport by convection and diffusion in 1D, 2D,
and 3D as well as for axisymmetric components in 1D and 2D. The dependent variable
is the molar concentration, c. Modeling multiple species transport is possible, whereby
the physics interface solves for the molar concentration, ci, of each species i.
Some features are only available in a limited set of add-on products. For
a detailed overview of which features are available in each product, visit
[Link]
SETTINGS
The Label is the default physics interface name.
The Name is used primarily as a scope prefix for variables defined by the physics
interface. Refer to such physics interface variables in expressions using the pattern
<name>.<variable_name>. In order to distinguish between variables belonging to
different physics interfaces, the name string must be unique. Only letters, numbers and
underscores (_) are permitted in the Name field. The first character must be a letter.
The default Name (for the first physics interface in the model) is tds.
DOMAIN SELECTION
If any parts of the model geometry should not partake in the mass transfer model,
remove that part from the selection list.
TR A N S P O R T M E C H A N I S M S
Diffusion is always included. By default, the Convection check box is selected under
Additional transport mechanisms.
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Note: Not all additional transport mechanisms listed below are available in all
products. For detail see [Link]
Select the Migration in electric field check box to activate the migration transport of
ionic species. See further the theory section Adding Transport Through Migration.
Select the Adsorption in porous media check box to activate the adsorption of solutes
in porous media. See further Adsorption.
Select the Dispersion in porous media check box to activate the dispersion mechanism
in porous media. See further Dispersion in the theory chapter.
Select the Volatilization in partially saturated porous media check box to model
volatilization in partially saturated domains. See further Theory for the Transport of
Diluted Species Interface.
CONSISTENT STABILIZATION
To display this sections click the Show button (
) and select Stabilization.
When the Crosswind diffusion check box is selected, a weak term that reduces
spurious oscillations is added to the transport equation. The resulting equation
system is always nonlinear. There are two options for the Crosswind diffusion type:
- Do Carmo and Galeothe default option. This type of crosswind diffusion
reduces undershoots and overshoots to a minimum but can in rare cases give
equation systems that are difficult to fully converge.
- Codina. This options is less diffusive compared to the Do Carmo and Galeo
option but can result in more undershoots and overshoots. It is also less effective
for anisotropic meshes. The Codina option activates a text field for the Lower
gradient limit glim. It defaults to 0.1[mol/m^3)/[Link], where [Link]
is the local element size.
For both consistent stabilization methods, select an Equation residual. Approximate
residual is the default and means that derivatives of the diffusion tensor components
are neglected. This setting is usually accurate enough and is computationally faster.
If required, select Full residual instead.
INCONSISTENT STABILIZATION
To display this section, click the Show button (
) and select Stabilization. By default,
the Isotropic diffusion check box is not checked, because this type of stabilization adds
artificial diffusion and affects the accuracy of the original problem. However, this
option can be used to get a good initial guess for under-resolved problems.
T H E TR A N S P O R T O F D I L U T E D S P E C I E S I N T E R F A C E
209
ADVANCED SETTINGS
To display this section, click the Show button (
) and select Advanced Physics Options.
Normally these settings do not need to be changed. Select a Convective term
Non-conservative form (the default) or Conservative form. The conservative formulation
should be used for compressible flow. See Convective Term Formulation for more
information.
DISCRETIZATION
To display this section, click the Show button (
) and select Discretization.
The Compute boundary fluxes check box is activated by default so that COMSOL
computes predefined accurate boundary flux variables. When this option is checked,
the solver computes variables storing accurate boundary fluxes from each boundary
into the adjacent domain.
If the check box is cleared, COMSOL instead computes the flux variables from the
dependent variables using extrapolation, which is less accurate in postprocessing
results, but does not create extra dependent variables on the boundaries for the fluxes.
The flux variables affected in the interface are
ndflux_c (where c is the dependent variable for the concentration) is the normal
diffusive flux and corresponds to the boundary flux when diffusion is the only
contribution to the flux term.
ntflux_c (where c is the dependent variable for the concentration) is the normal
total flux and corresponds to the boundary flux plus additional transport terms, for
example, the convective flux when you use the non-conservative form.
Also the Apply smoothing to boundary fluxes check box is available if the previous check
box is checked. The smoothing can provide a more well-behaved flux value close to
singularities.
For details about the boundary fluxes settings, see Computing Accurate Fluxes in the
COMSOL Multiphysics Reference Manual.
The Value type when using splitting of complex variables setting should in most pure
mass transfer problems be set to Real which is the default. It makes sure that the
dependent variable does not get affected by small imaginary contributions, which can
occur, for example, when combining a Time Dependent or Stationary study with a
frequency-domain study. For more information, see Splitting Complex-Valued
Variables in the COMSOL Multiphysics Reference Manual.
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DEPENDENT VA RIA BLES
The dependent variable name is Concentration c by default. The names must be unique
with respect to all other dependent variables in the component.
Add or remove species variables in the model and also change the names of the
dependent variables that represent the species concentrations.
Enter the Number of species. Use the Add concentration (
concentration (
) buttons as needed.
) and Remove
FURTHER READING
Theory for the Transport of Diluted Species Interface
Numerical Stabilization
Domain, Boundary, and Pair Nodes for the Transport of Diluted
Species Interface
In the COMSOL Multiphysics Reference Manual see Table 2-3 for
links to common sections and Table 2-4 to common feature nodes.
You can also search for information: press F1 to open the Help window
or Ctrl+F1 to open the Documentation window.
Effective Diffusivity in Porous Materials: Application Library path
COMSOL_Multiphysics/Diffusion/effective_diffusivity
Thin-Layer Diffusion: Application Library path
COMSOL_Multiphysics/Diffusion/thin_layer_diffusion
The Transport of Diluted Species in Porous Media Interface
This interface (
), found under the Chemical Species Transport branch (
), is used
to calculate the species concentration and transport in free and porous media. It
includes reaction rate expressions and solute sources for modeling of species transport
and reaction in porous media. The interface is the same as the Transport of Diluted
Species interface but it uses other defaults: A Porous Media Transport node is activated
by default.
Note: Not all additional transport mechanisms listed below are available in all
products. For details, see [Link]
T H E TR A N S P O R T O F D I L U T E D S P E C I E S I N T E R F A C E
211
This interface includes free and porous media flow with immobile and mobile phases,
including diffusion, convection, dispersion, adsorption, and volatilization in porous
media. It supports cases where either the solid phase substrate is exclusively immobile,
or when a gas-filling medium is also assumed to be immobile.
It applies to one or more diluted species or solutes that move primarily within a fluid
that fills (saturated) or partially fills (unsaturated) the voids in a solid porous medium.
The pore space not filled with fluid contains an immobile gas phase. Models including
a combination of porous media types can be studied.
The main feature nodes are the Porous Media Transport Properties; and Partially
Saturated Porous Media nodes, which add the equations for the species concentrations,
provide an interface for defining the properties of the porous media, as well as
additional properties governing adsorption, volatilization, dispersion and diffusion,
and the velocity field to model convection.
The physics interface can be used for stationary and time-dependent analysis.
When this physics interface is added, these default nodes are also added to the Model
BuilderPorous Media Transport Properties, No Flux (the default boundary condition),
and Initial Values. Then, from the Physics toolbar, add other nodes that implement, for
example, boundary conditions, reaction rate expressions, and species sources. You can
also right-click Transport of Diluted Species in Porous Media to select physics features
from the context menu.
SETTINGS
The rest of the settings are the same as The Transport of Diluted Species Interface
FURTHER READING
Theory for the Transport of Diluted Species Interface
Domain, Boundary, and Pair Nodes for the Transport of Diluted
Species Interface
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Variably Saturated Flow and TransportSorbing Solute:
Application Library path
Subsurface_Flow_Module/Solute_Transport/sorbing_solute
Web link:
[Link]
-transport-sorbing-solute-490
Domain, Boundary, and Pair Nodes for the Transport of Diluted
Species Interface
The Transport of Diluted Species Interface has the following domain, boundary, and
pair nodes, listed in alphabetical order, available from the Physics ribbon toolbar
(Windows users), Physics context menu (Mac or Linux users), or right-click to access
the context menu (all users).
To add a node, go to the Physics toolbar, no matter what operating system
you are using. Subnodes are available by clicking the parent node and
selecting it from the Attributes menu.
Concentration
Periodic Condition
Flux
Point Mass Source
Flux Discontinuity
Porous Media Transport Properties
Inflow
Reactions
Initial Values
Species Source
Line Mass Source1
Symmetry
Mass-Based Concentrations
Thin Diffusion Barrier
No Flux
Thin Impermeable Barrier
Outflow
Transport Properties
Partially Saturated Porous Media
Volatilization
Some features may require certain add-on modules. See details
[Link]
T H E TR A N S P O R T O F D I L U T E D S P E C I E S I N T E R F A C E
213
For axisymmetric components, COMSOL Multiphysics takes the axial
symmetry boundaries (at r = 0) into account and automatically adds an
Axial Symmetry node that is valid on boundaries representing the
symmetry axis.
In the COMSOL Multiphysics Reference Manual see Table 2-3 for links
to common sections and Table 2-4 to common feature nodes. You can
also search for information: press F1 to open the Help window or Ctrl+F1
to open the Documentation window.
Transport Properties
The settings in this node are dependent on the check boxes selected under Transport
Mechanisms on the Settings window for the Transport of Diluted Species interface. It
includes only the sections required by the activated transport mechanisms. It has all the
equations defining transport of diluted species as well as inputs for the material
properties.
When the Convection check box is selected, the Turbulent Mixing sub-node is available
from the context menu as well as from the Physics toolbar, Attributes menu. Note that
this feature is only available in some COMSOL products. See details:
[Link]
MODEL INPUTS
If transport by convection is active, the velocity field of the solvent needs to be
specified as a model input. Select the source of the Velocity field u. For User defined,
enter values or expressions for the velocity components in the fields or table. This input
option is always available.
You can also select the velocity field solved by a Fluid Flow interface that been added
to the model component. These physics interfaces are available for selection from the
Velocity field list if they are active in the domains. A list of the variable names related to
the Fluid Flow interface will be visible in a table.
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When the Migration in electric field check box is selected on the Settings window for
Transport of Diluted Species, select the source of the electric potential field and,
optionally, temperature.
Enter values or expressions for the Electric potential V, which is User defined; this
input option is always available.
Select the electromagnetic field solved by an AC/DC-based interface that has also
been added to the model. This works like the velocity field model input described
above.
The default mobility model is the Nernst-Einstein relation. This also requires a
temperature input, which will be exposed in the same manner as the electric
potential described above.
Note that the migration in electric fields feature is only available in some COMSOL
products. See details: [Link]
DIFFUSION
Select an option from the Material list. This selection list can only be used if a material
has been added in the Materials node, and if that material has a diffusion coefficient
defined. Else, you need to type in the diffusivity in the User Defined edit field.
Enter the Diffusion coefficient Dc for each species. This can be a scalar value for isotropic
diffusion or a tensor describing anisotropic diffusion. Select the appropriate tensor
type Isotropic, Diagonal, Symmetric, or Anisotropic that describes the diffusion
transport, and then enter the values in the corresponding element (one value for each
species).
Note that multiple species, as well as Migration in Electric fields (described below) is
only available for certain COMSOL add-on products. See details:
[Link]
MIGRATION IN ELECTRIC FIELD
This section is available when the Migration in electric field check box is selected. By
default the Mobility is set to be calculated based on the species diffusivity and the
temperature using the Nernst-Einstein relation. For User defined, and under Mobility,
select the appropriate scalar or tensor typeIsotropic, Diagonal, Symmetric, or
Anisotropicand type in the value of expression of the mobility um,c.
Enter the Charge number zc (dimensionless, but requires a plus or minus sign) for each
species.
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Specify the temperature (if you are using mobilities based on the Nernst-Einstein
relation) and electric field in the Model Inputs section.
EXAMPLE MODELS
Separation Through Dialysis: Application Library path
Chemical_Reaction_Engineering_Module/Separation_Processes/dialysis
Web link:
[Link]
Transport in an Electrokinetic Valve: Application Library path
Microfluidics_Module/Fluid_Flow/electrokinetic_valve
Web link:
[Link]
Turbulent Mixing
Note that the Turbulent Mixing node is only available for some product add-ons. See
details: [Link]
This subnode is available from the context menu (right-click the Transport Properties
parent node) as well as from the Physics toolbar, Attributes menu, if Convection is
selected as a transport mechanism. Use this node to account for the turbulent mixing
caused by the eddy diffusivity. An example is when the specified velocity field
corresponds to a RANS solution.
TU R B U L E N T M I X I N G P A R A M E T E R S
Some physics interfaces provide the turbulent kinematic viscosity, and these appear as
options in the Turbulent kinematic viscosity T list. The list always contains the User
defined option where any value or expression can be entered.
The default Turbulent Schmidt number ScT is 0.71 (dimensionless).
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FURTHER READING
See the section About Turbulent Mixing (this link is available if you have the CFD
Module documentation installed)
Turbulent Mixing of a Trace Species: Application Library path
CFD_Module/Single-Phase_Tutorials/turbulent_mixing
Web link:
[Link]
2727
Initial Values
This node specifies the initial values for the concentration of each species. These serve
as an initial guess for a stationary solver or as initial conditions for a transient
simulation.
DOMAIN SELECTION
If there are several types of domains with different initial values defined, it might be
necessary to remove some domains from the selection. These are then defined in an
additional Initial Values node.
IN IT IA L VA LUES
Enter a value or expression for the initial value of the Concentration or concentrations,
ci. This also serves as a start guess for stationary problems.
Mass-Based Concentrations
Use the Mass-Based Concentrations node to add postprocessing variables for mass-based
concentrations (SI unit: kg/m3) and mass fractions (dimensionless) for all the species.
MIXTURE PROPERTIES
The default Solvent density solvent is taken From material. For User defined, enter a
value or expression manually. Define the Molar mass of each species which is needed to
calculate the mass based concentration.
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Reactions
Use the Reactions node to account for the consumption or production of species
through chemical reactions. Define the rate expressions as required.
DOMAIN SELECTION
From the Selection list, choose the domains on which to define rate expression or
expressions that govern the source term in the transport equations.
Several reaction nodes can be used to account for different reactions in different parts
for the modeling geometry.
REACTION RATES
Add a rate expression R (SI unit: mol/(m3s)), for species i. Enter a value or expression
in the field. Note that if you have the Chemistry interface available, provided with the
Chemical Reaction Engineering Module, the reaction rate expressions can be
automatically generated and picked up using the drop-down menu. See example in the
application Fine Chemical Production in a Plate Reactor as linked below.
R E A C T I N G VO L U M E
When specifying reaction rates for a species in porous media, the specified reaction rate
may have the basis of the total volume, the pore volume, or the volume of a particular
phase. For non-porous domains, the settings of the Reacting Volume section has no
impact.
Note that the Reacting Volume section is only available in the products that provide
the Transport of Diluted Species in Porous Media interface. See details:
[Link]
For Total volume the reaction expressions in mol/(m3s) are specified per unit volume
of the model domain (multiplied by unity).
For Pore volume the reaction expressions in mol/(m3s) are specified per unit volume
of total pore space. The reaction expressions will be multiplied by the domain porosity,
p. (p equals unity for non-porous domains).
For Liquid phase the reaction expressions in mol/(m3s) are specified per unit volume
of liquid in the pore space. The expressions will be multiplied by the liquid volume
fraction . ( equals p for Saturated Porous Media domains).
For Gas phase the expressions are multiplied by the gas volume fraction av = p .
av equals 0 for Saturated Porous Media domains.
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FURTHER READING
See the theory chapter on chemical species transport, starting with the section Mass
Balance Equation.
Fine Chemical Production in a Plate Reactor: Application Library
path Chemical_Reaction_Engineering_Module/
Reactors_with_Mass_and_Heat_Transfer/plate_reactor
Web link:
[Link]
eactor-8589
No Flux
This node is the default boundary condition on exterior boundaries. It represents
boundaries where no mass flows in or out of the boundaries. Hence, the total flux is
zero.
Inflow
Use this node to specify all species concentrations at an inlet boundary.
If you want to specify the concentration of a subset of the partaking species this can be
done by using the Concentration node instead.
For the Electroanalysis interface, this node is available when you select the Convection
check box on the physics interface Settings window.
CONCENTRATION
For the concentration of each species c0,c (SI unit: mol/m3) enter a value or
expression.
B O U N D A R Y C O N D I T I O N TY P E
This section in the settings is only available for some products. Search for Inflow on
the page: [Link] for more details on
availability.
The option Concentration constraint constrains the concentration values on the
boundary by the use of point-wise constraints. The other option, Flux (Danckwerts) can
be more stable and fast to solve when high reaction rates are anticipated in the vicinity
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of the inlet. Oscillations on the solutions can also be avoided in such cases. The latter
condition uses a flux boundary condition based on the velocity across the boundary
and the concentration values. See further details in the theory section
CONSTRAINT SETTINGS
To display this section, click the Show button (
) and select Advanced Physics Options.
See the details about the different constraint setting in the section Constraint Reaction
Terms in the COMSOL Multiphysics Reference Manual.
FURTHER READING
See the theory chapter in the section .
Outflow
This node is not available if Diffusion only is included in the model.
Set this condition at outlets where species are transported out of the model domain by
fluid motion. It is assumed that convection is the dominating transport mechanism
across outflow boundaries, and therefore that diffusive transport can be ignored, that
is:
n ( D c ) = 0
Concentration
This condition node adds a boundary condition for the species concentration. For
example, a c = c0 condition specifies the concentration of species c.
CONCENTRATION
Individually specify the concentration (SI unit: mol/m3) for each species. Select the
check box for the Species to specify the concentration, and then enter a value or
expression in the corresponding field. To use another boundary condition for a specific
species, click to clear the check box for the concentration of that species.
CONSTRAINT SETTINGS
To display this section, click the Show button (
) and select Advanced Physics Options.
See the details about the different constraint setting in the section Constraint Reaction
Terms in the COMSOL Multiphysics Reference Manual.
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Flux
This node can be used to specify the total species flux across a boundary. The total flux
of species c is defined accordingly:
n ( cu Dc zu m Fc ) = N 0
where N0 is an arbitrary user-specified flux expression (SI unit: mol/(m2s)). For
example, N0 can represent a flux from or into a much larger surrounding environment,
a phase change, or a flux due to chemical reactions. N0 can also be a function of the
concentration and the electric potential (if the mass transport includes migration of
ionic species).
When diffusion is the only transport mechanism present, the flux condition is extended
to include a mass transfer term to describe flux into a surrounding environment:
n ( Dc ) = N 0 + k c ( c b c )
where kc is a mass transfer coefficient (SI unit: m/s), and cb is the concentration
(SI unit: mol/m3) in the surroundings of the modeled system (the bulk
concentration). The mass transfer coefficient (to be specified) is often given by
boundary-layer theory.
INWARD FLUX
This is used to individually specify the flux of each species. To use another boundary
condition for a specific species, click to clear the check box for the mass fraction of that
species.
Note: Use a minus sign when specifying a flux leaving the system.
Symmetry
The Symmetry node can be used to represent boundaries where the species
concentration is symmetric, that is, where there is no mass flux in the normal direction
across the boundary.
This boundary condition is identical to that of the No Flux node, but applies to all
species and cannot be applied to individual species.
Flux Discontinuity
This node represents a discontinuity in the mass flux across an interior boundary:
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n ( Nd Nu ) = N0
N = ( cu Dc zu m Fc )
where the value N0 (SI unit: mol/(m2s)) specifies the jump in flux at the boundary.
This can be used to model a boundary source, for example a surface reaction,
adsorption or desorption.
FLUX DISCONTINUITY
In this section the jump in species flux (or surface source) is specified.
Select the Species check box for the species to specify and enter a value or expression
for the material flux jump in the corresponding field. To use a different boundary
condition for a specific species, click to clear the check box for the flux discontinuity
of that species.
Periodic Condition
The Periodic Condition node can be used to define periodicity or antiperiodicity
between two boundaries. The node can be activated on more than two boundaries, in
which case the feature tries to identify two separate surfaces that can each consist of
several connected boundaries. For more complex geometries it might be necessary to
add the Destination Selection subnode, which is available from the context menu
(right-click the parent node) as well as from the Physics toolbar, Attributes menu.
With this subnode the boundaries that constitute the source and destination surfaces
can be manually specified.
FURTHER READING
For an example of using a periodic condition see the application example:
The KdV Equation and Solitons: Application Library path
COMSOL_Multiphysics/Equation_Based/kdv_equation
Line Mass Source
This feature is only available in a limited set of add-on products. See
[Link] for more details on availability.
The Line Mass Source feature models mass flow originating from a tube or line region
with infinitely small radius.
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For the Reacting Flow in Porous Media, Diluted Species interface, which is available
in some add-on products, the Line Mass Source node is available in two versions, one
for the fluid flow (Fluid Line Source) and one for the species (Species Line Source).
SELECTION
The Line Mass Source feature is available for all dimensions, but the applicable selection
differs between the dimensions.
MODEL DIMENSION
APPLICABLE GEOMETRICAL ENTITY
2D
Points
2D Axisymmetry
Points not on the symmetry axis and the symmetry axis
3D
Edges
SPECIES SOURCE
Enter the source strength, q l,c , for each species (SI unit: mol/(ms)). A positive value
results in species injection from the line into the computational domain, and a negative
value means that the species is removed from the computational domain.
Line sources located on a boundary affect the adjacent computational domains. This
effect makes the physical strength of a line source located in a symmetry plane twice
the given strength.
FURTHER READING
See the section Crosswind Diffusion in the COMSOL Reference Manual.
Point Mass Source
This feature is only available in a limited set of add-on products. See
[Link] for more details on availability.
The Point Mass Source feature models mass flow originating from an infinitely small
domain around a point.
For the Reacting Flow in Porous Media, Diluted Species interface, which is available
in some add-on products, the Point Mass Source node is available in two versions, one
for the fluid flow (Fluid Point Source) and one for the species (Species Point Source).
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SPECIES SOURCE
Enter the source strength, q p,c , for each species (SI unit: mol/s). A positive value
results in species injection from the point into the computational domain, and a
negative value means that the species is removed from the computational domain.
Point sources located on a boundary or on an edge affect the adjacent computational
domains. This has the effect, for example, that the physical strength of a point source
located in a symmetry plane is twice the given strength.
FURTHER READING
See the section Crosswind Diffusion in the COMSOL Reference Manual.
Open Boundary
This feature is only available in a limited set of add-on products. See
[Link] for more details on availability.
Use this node to set up mass transport across boundaries where both convective inflow
and outflow can occur. Use this boundary condition to specify an exterior species
concentration on parts of the boundary where fluid flows into the domain. A condition
equivalent to the Outflow node applies to the parts of the boundary where fluid flows
out of the domain.
The direction of the flow across the boundary is typically calculated by a fluid flow
interface and is provided as a model input to the Transport of Diluted Species
interface.
EXTERIOR CONCENTRATION
Enter a value or expression for the Exterior concentration.
Thin Diffusion Barrier
Use this boundary condition to model a thin layer through which mass is transported
by diffusion only. To set up the node, specify the layer thickness and a diffusion
coefficient for each transported species.
THIN DIFFUSION BARRIER
Enter a Layer thickness ds (SI unit: m). The default is 0.005 m (5 mm). Enter a
Diffusion coefficient Ds,c (SI unit: m2/s). The default is 0.
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Thin Impermeable Barrier
This feature models a thin mass transfer barrier. The feature is available on interior
boundaries and introduces a discontinuity in the concentration across the boundary.
On each side of the boundary a no flux condition is prescribed for the mass transport.
The Thin Impermeable Barrier boundary feature can be used to avoid meshing thin
structures.
Solving a model involving coupled fluid flow and mass transfer, the Thin Impermeable
Barrier feature can be combined with an Interior Wall or Rotating Interior Wall feature
in order to model a thin solid wall.
Equilibrium Reaction
This feature is only available in a limited set of add-on products. See
[Link] for more details on availability.
Use this node to model an equilibrium reaction in a domain. This feature is available
with two species or more.
The equilibrium reaction is defined by the relation between the chemical activities of
the chemical species participating in the reaction (the equilibrium condition), and the
stoichiometry of the reaction.
The node solves for an additional degree of freedom (the reaction rate) to fulfill the
equilibrium condition at all times in all space coordinates.
If the Apply equilibrium condition on inflow boundaries check box is selected, the
specified inflow concentration values in all active Inflow boundary nodes for the physics
interface are modified to comply with the equilibrium condition.
EQUILIBRIUM CONDITION
The list defaults to Equilibrium constant or select User defined. For either option, the
Apply equilibrium condition on inflow boundaries check box is selected by default.
For Equilibrium constant enter an Equilibrium constant Keq (dimensionless). The default
is 1. Enter a value or expression for the Unit activity concentration Ca0 (SI
unit: mol/m3). The default is 1 x 10-3 mol/m3. Equilibrium constant creates an
equilibrium condition based on the stoichiometric coefficients, the species activities,
and the law of mass action.
For User defined enter an Equilibrium expression Eeq (dimensionless).
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STOICHIOMETRIC COEFFICIENTS
Enter a value for the stoichiometric coefficientc (dimensionless). The default is 0. Use
negative values for reactants and positive values for products in the modeled reaction.
Species with a stoichiometric coefficient value of 0 are not affected by the Equilibrium
Reaction node.
Surface Equilibrium Reaction
This feature is only available in a limited set of add-on products. See
[Link] for more details on availability.
Use this node to model an equilibrium reaction on a boundary (surface). The settings
for this node are similar to Equilibrium Reaction.
Porous Electrode Coupling
This feature is only available in a limited set of add-on products. See
[Link] for more details on availability.
Use this node to add a molar source in a domain that is coupled to one or multiple
Porous Electrode Reaction nodes of an Electrochemistry Interface.
The molar source is calculated from the number of electrons, stoichiometric
coefficients, and volumetric current densities of the coupled porous electrode reactions
specified in the Reaction Coefficients subnodes.
In the Transport of Concentrated Species interface the molar sources (or sinks) are
multiplied by the species molar masses to obtain the corresponding mass sources.
Additional Reaction Coefficients subnodes are available from the context menu
(right-click the parent node) as well as from the Physics toolbar, Attributes menu.
Note that if you are modeling also the momentum transport and expect a
non-negligible total mass source or sink, which is often the case in gas diffusion
electrodes, you need to also add a corresponding Porous Electrode Coupling node in
the Fluid Flow interface.
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Reaction Coefficients
Add this node to the Electrode-Electrolyte Interface Coupling and Porous Electrode
Coupling features to define molar fluxes and sources based on electrode current
densities in an Electrochemistry interface.
The molar flux or source is proportional to the stoichiometric coefficients and the
current density according to Faradays law.
All current densities from the Electrode Reaction (iloc, SI unit: A/m2) or the Porous
Electrode Reaction (iv, SI unit: A/m3) nodes are available for selection as the Coupled
reaction, and user-defined expressions are also supported.
Enter the Number of participating electrons nm (dimensionless) and the Stoichiometric
coefficient vc (dimensionless) as explained in the Electrode Reaction documentation or
the theory section.
Use multiple subnodes to couple to multiple reactions.
Electrode-Electrolyte Interface Coupling
Use this node to define a flux boundary condition based on current densities of one or
multiple Electrode Reaction nodes in an Electrochemistry interface.
The flux is proportional to the current densities and the stoichiometric coefficients
according to Faradays law as defined by summation over the Reaction Coefficients
subnodes.
In the Transport of Concentrated Species interface the molar fluxes are multiplied by
the species molar masses to obtain the corresponding mass fluxes.
Note that if you are modeling also the momentum transport and expect a
non-negligible total mass flux over the boundary, which is often the case for gas
diffusion electrodes, you need to also add a corresponding Electrode-Electrolyte
Interface Coupling node in the Fluid Flow interface.
Porous Media Transport Properties
This feature is only available in a limited set of add-on products. See
[Link] for more details on availability.
Use this node to model the transport of diluted species in porous media.
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MATRIX PROPERTIES
Select an option from the Porous material list. The default is Domain material.
By default the Porosity, p (dimensionless) is taken From material. For User defined
enter a different value. The default is 0.3.
When the Adsorption in porous media check box is selected on the Settings window for
the physics interface, the default Density (SI unit: kg/m3) is taken From material. For
User defined enter a different value. The default is 1400 kg/m3.
DIFFUSION
Select a Fluid material (when available and applicable).
Specify the Fluid diffusion coefficient DF,i (SI unit: m2/s). Enter a value or expression
for each of the species in the corresponding input field. The default is 1 x 10-9 m2/s.
Select the Effective diffusivity modelMillington and Quirk model (the default),
Bruggeman model, Tortuosity model, or User defined. For Tortuosity model enter a value
for the tortuosity F,i (dimensionless). The default is 1.
ADSORPTION
This section is available when the Adsorption in porous media check box is selected on
the Settings window for the physics interface.
Select a Sorption typeLangmuir (the default), Freundlich, or User defined.
For Langmuir enter a Langmuir constant kL,c (SI unit: m3/mol) and an Adsorption
maximum cp,max,c (SI unit: mol/kg). The defaults are 0 m3/mol and 0 mol/kg,
respectively.
For Freundlich enter a Freundlich constant kF,c (dimensionless), a Freundlich exponent
NF,c (dimensionless), and Reference concentration cref,c (SI unit: m3/mol).
For User defined enter an Adsorption isotherm kP,c (SI unit: m3/kg).
DISPERSION
This section is available when the Dispersion in porous media check box is selected on
the Settings window for the physics interface.
Select the Specify dispersion for each species individually check box to specify the
dispersion tensor DD (SI unit: m2/s) for each species separately. The default is to use
the same dispersion tensor DD for all species.
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Select an option from the Dispersion tensor listUser defined (the default) or
Dispersivity. For User defined, use it to specify the dispersion components as
user-defined constants or expressions. Select Isotropic, Diagonal, Symmetric, or
Anisotropic based on the properties of the dispersion tensor.
Select Dispersivity when Convection has been added as transport mechanism. Specify the
dispersivities (SI unit: m) to define the dispersion tensor DD (SI unit: m2/s) together
with the velocity field u. Select an option from the Dispersivity model listIsotropic
(the default) or Transverse isotropic based on the properties of the porous media. For
isotropic porous media specify the longitudinal and transverse dispersivities. For
transverse isotropic porous media specify the longitudinal, horizontal transverse, and
vertical transverse dispersivities.
FURTHER READING
See the theory chapter in the section Transport of Diluted Species in Porous Media.
Partially Saturated Porous Media
This feature is only available in a limited set of add-on products. See
[Link] for more details on availability.
Use this node to model the transport of diluted species in partially saturated porous
media.
SATURATION
Select Saturation or Liquid volume fraction from the list.
For Saturation, enter a value for s (dimensionless) between 0 and 1. The liquid volume
fraction is then computed from the saturation and porosity as = sp.
For Liquid volume fraction, enter a value for (dimensionless) between 0 and the value
of porosity. The saturation is then computed from the porosity and the liquid volume
fraction as s = p.
Select a Fluid fraction time changeFluid fraction constant in time (the default), Time
change in fluid fraction, or Time change in pressure head.
For Time change in fluid fraction, enter d/dt (SI unit: 1/s).
For Time change in pressure head enter dHp/dt (SI unit: m/s) and a Specific moisture
capacity Cm (SI unit: 1/m).
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DIFFUSION
Select a Liquid material from the list.
Specify the Liquid diffusion coefficient DL,c (SI unit: m2/s). Enter a value or expression
for each of the species in the corresponding input field. The default is.
Select the Effective diffusivity model, liquidMillington and Quirk model (the default),
Bruggeman model, Tortuosity model, or User defined. For Tortuosity model enter a value
for L,c (dimensionless). The default is1.
When the Volatilization in partially saturated porous media check box is selected on the
Settings window for the physics interface, also define the Gas material, Gas diffusion
coefficient, and Effective diffusivity model, gas.
ADSORPTION
This section is available when the Adsorption in porous media check box is selected on
the Settings window for the physics interface. The settings are the same as for Porous
Media Transport Properties.
DISPERSION
This section is available when the Dispersion in porous media check box is selected on
the Settings window for the physics interface. The settings are the same as for Porous
Media Transport Properties.
VO L A T I L I Z A T I O N
This section is available when the Volatilization in partially saturated porous media check
box is selected on the Settings window for the physics interface.
Enter a value for the Volatilization kG,c (dimensionless) for each species.
Volatilization
This feature is only available in a limited set of add-on products. See
[Link] for more details on availability.
This feature is available when the Volatilization in partially saturated porous media check
box is selected on the Settings window for the physics interface.
Use the boundary condition to model a thin layer through which mass is transported
by volatilization only. To set up the node, specify the layer thickness and the
atmospheric concentration of each species in the thin layer for each transported
species.
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VO L A T I L I Z A T I O N
Enter a Layer thickness ds and the atmospheric concentration for each species. The Gas
diffusion coefficient DG,c (SI unit: m2/s) and the Volatilization coefficient kG,c
(dimensionless) for each species are taken from the adjacent Partially Saturated Porous
Media domain.
Reactive Pellet Bed
Note that this feature is only available if you are licensed to the Chemical Reaction
Engineering Module. See details: [Link]
Use this feature to model packed bed reactors with catalytic pellets. For details, see the
section Theory for the Reactive Pellet Bed. By default, subnodes for Reactions and
Initial values are added.
BED PARAMETERS
Here you can specify the bed porosity which is the void fraction between the pellets in
the packed bed structure. Either you can specify the densities of the bed and one pellet,
Density option, or specify the porosity directly Porosity option.
PELL ET SIZE D IST RIBUTIO N
Different pellet sizes can be modeled in the same bed. Select a Pellet size distribution
Uniform size (the default), Two sizes, Three sizes, Four sizes, or Five sizes to select up to
five different particle sizes. Then based on this choice enter the following as applicable:
Radius rpe (SI unit: m). The default is 1 x 10-3 m.
Radii and volume percentages: If several sizes are selected, the radius of each size, and
its volume percentage of the total pellet volume must be added.
Note that different chemical reactions can be specified for each size of the pellet.
PELL ET PARA MET ERS
Enter a Pellet porosity pe (dimensionless) to account for a porous pellet.
Select Diffusion modelMillington and Quirk model (the default), Bruggeman model,
Tortuosity model, or User defined to describe the correction of the diffusion coefficient
in the pellet. In the case of the Tortuosity model a value for the tortuosity pe within
the pellet needs to be set.
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Enter also the Diffusion coefficient Dpe,c (SI unit: m2/s). In the User defined case an
Effective diffusion coefficient Dpeff,c (SI unit: m2/s) is entered. The default is 1 x
10-9 m2/s in both cases.
P E L L E T- F L U I D S U R F A C E
The pellet surface to fluid coupling has two Coupling type options available:
Continuous concentration, cpei=ci, assuming no resistance to the mass transport
between pellet and fluid. This options assumes that all the resistance against mass
transfer is inside the pellet pores.
Film resistance (mass flux) when the above assumption does not hold and the mass
transfer of also limited by the convective and diffusional properties of the fluid
surrounding the pellet. This option employs a film resistance theory as described in
the section Theory for the Reactive Pellet Bed.
The Film resistance (mass flux) option computes the inward surface flux,
Ni,inward=hDi(ci-cpei). hDi is the mass transfer coefficient (SI unit: m/s) and can be
calculated with the default Automatic setting from a dimensionless Sherwood number
expression or with User defined mass transfer coefficients.
The Active specific surface area (SI unit: m-1) is required to couple the mass transfer
between the pellets and the bed fluid. Select either the Automatic setting that in most
cases apply for spherical dumped pellets or otherwise use the User defined option.
The Sherwood number expression can be computed from three available expressions:
Frssling, Rosner, and Garner and Keey. The Frssling equation is the default and
probably the most commonly used for packed spheres. All these are based on the
dimensionless Reynolds, Re, and Schmidt, Sc, numbers which are computed from
Density and Dynamic viscosity. Select these to be taken either From material or choose
the User defined alternative.
PELLET DISCRETIZATION
The extra dimension in the pellet needs to be discretized into elements. Select a
DistributionCubic root sequence (the default), Linear, or Square root sequence. Enter
the Number of elements Nelem.
CONSTRAINT SETTINGS
To display this section, click the Show button (
) and select Advanced Physics Options.
See the details about the different constraint setting in the section Constraint Reaction
Terms in the COMSOL Multiphysics Reference Manual.
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FURTHER READING
Theory for the Reactive Pellet Bed in the Theory section of this manual.
For an application using the Reactive Pellet Bed feature, see
A Multiscale 3D Packed Bed Reactor: Application Library path
Chemical_Reaction_Engineering_Module/Reactors_with_Porous_Catalysts/
packed_bed_reactor_3d
Web link:
[Link]
Species Source
In order to account for consumption or production of species in porous domains, the
Species Source node adds source terms expressions Si to the right-hand side of the
species transport equations.
DOMAIN SELECTION
From the Selection list, choose the domains on which to define rate expression or
expressions that govern the source term in the transport equations.
If there are several types of domains, with subsequent and different reactions occurring
within them, it might be necessary to remove some domains from the selection. These
are then defined in an additional Species Source node.
SPECIES SOURCE
Add a source term S (SI unit: mol/(m3s)) for each of the species solved for. Enter a
value or expression in the field of the corresponding species.
Hygroscopic Swelling
The Hygroscopic Swelling multiphysics coupling node (
) is used for moisture
concentration coupling between the Solid Mechanics interface and either the
Transport of Diluted Species or Transport of Diluted Species in Porous Media
interfaces.
Hygroscopic swelling is an effect of internal strain caused by changes in moisture
content. This strain can be written as
hs = h ( c mo c mo,ref )
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233
where h is the coefficient of hygroscopic swelling, cmo is the moisture concentration,
and cmo,ref is the strain-free reference concentration.
It requires a license of either the MEMS or Structural Mechanics modules. The
multiphysics feature will appear automatically if both the Transport of Diluted Species
and the Solid Mechanics interfaces are added to he same component. For the most
current information about licensing, please see See
[Link]
FURTHER READING
More information about how to use hygroscopic swelling can be found in Hygroscopic
Swelling Coupling section in the Structural Mechanics module Users Guide.
More information about multiphysics coupling nodes can be found in the section The
Multiphysics Node in the COMSOL Multiphysics Reference Manual.
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T he o r y f o r t he Tran sp ort of D i l u t ed
S pe c i e s Inte r f a c e
The Transport of Diluted Species Interface provides a predefined modeling
environment for studying the evolution of chemical species transported by diffusion
and convection as well as migration due to an electric field. The physics interface
assumes that all species present are dilute; that is, that their concentration is small
compared to a solvent fluid or solid. As a rule of thumb, a mixture containing several
species can be considered dilute when the concentration of the solvent is more than
90 mol%. Due to the dilution, mixture properties such as density and viscosity can be
assumed to correspond to those of the solvent.
When studying mixtures that are not dilute, the mixture and transport properties
depend of the composition, and a different physics interface is recommended. See The
Transport of Concentrated Species Interface for more information.
Ficks law governs the diffusion of the solutes, dilute mixtures or solutions, while the
phenomenon of ionic migration is sometimes referred to as electrokinetic flow. The
Transport of Diluted Species interface supports the simulations of chemical species
transport by convection, migration, and diffusion in 1D, 2D, and 3D as well as for
axisymmetric components in 1D and 2D.
In this section:
Mass Balance Equation
Convective Term Formulation
Adding Transport Through
Migration
Solving a Diffusion Equation Only
Theory for the Reactive Pellet Bed
Mass Sources for Species Transport
References
Crosswind Diffusion
The Transport of Diluted Species in Porous Media Interface theory is also included.
T H E O R Y F O R T H E TR A N S P O R T O F D I L U T E D S P E C I E S I N T E R F A C E
235
Mass Balance Equation
The default node attributed to the Transport of Diluted Species interface models
chemical species transport through diffusion and convection and solves the mass
conservation equation for one or more chemical species i:
c i
------- + ( D c i ) + u c i = R i
t
(8-1)
Equation 8-1 in its form above includes the transport mechanisms diffusion and
convection. If Migration in Electric Field is activated (only available in some add-on
products), the migration mechanism will be added to the equation as well. See more
details in the section Adding Transport Through Migration.
ci is the concentration of the species (SI unit: mol/m3)
Di denotes the diffusion coefficient (SI unit: m2/s)
Ri is a reaction rate expression for the species (SI unit: mol/(m3s))
u is the velocity vector (SI unit: m/s)
The flux vector N (SI unit: mol/(m2s)) is associated with the mass balance equation
above and used in boundary conditions and flux computations. For the case where the
diffusion and convection are the only transport mechanisms, the flux vector is defined
as
N i = D c + u c
(8-2)
If Migration in Electric Fields is activated, the flux vector is amended with the
migration term as show in the section Adding Transport Through Migration.
The first term on the left-hand side of Equation 8-1 corresponds to the accumulation
(or indeed consumption) of the species.
The second term accounts for the diffusive transport, accounting for the interaction
between the dilute species and the solvent. A user input field for the diffusion
coefficient is available. Anisotropic diffusion coefficient tensor input is supported.
The third term on the left hand side of Equation 8-1 describes the convective transport
due to a velocity field u. This field can be expressed analytically or be obtained from
coupling this physics interface to one that computes fluid flow, such as Laminar Flow.
On the right-hand side of the mass balance equation (Equation 8-1), Ri represents a
source or sink term, typically due to a chemical reaction, or /desorption on a porous
matrix. To specify Ri, another node must be added to the Transport of Diluted Species
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interfacethe Reaction node, which has a field for specifying a reaction equation using
the variable names of all participating species.
Equilibrium Reaction Theory
The feature Equilibrium Reaction is described in this section. A chemical equilibrium
reaction system is defined by the stoichiometry of the reaction and the relation
between the chemical activities of the chemical species participating in the reaction (the
equilibrium condition).
The kinetics of the reaction is so fast that the equilibrium condition is fulfilled at all
times in all space coordinates.
The equilibrium condition is commonly based on the stoichiometric coefficients,
i (dimensionless), of the reaction, the species activities of the reacting species
ai (dimensionless), and an equilibrium constant, Keq (1) according to:
ai i
i products
K eq = ---------------------------------
ai i
i reactants
where the species activities are defined as
ci
a i = c, i ------c a0
where ca0 (SI unit: mol/m3) is the standard molarity, and c,i (dimensionless) an
activity coefficient.
Defining the stoichiometric coefficients positive for products and negative for
reactants, the above equilibrium condition can also be written:
K eq =
ai
i
T H E O R Y F O R T H E TR A N S P O R T O F D I L U T E D S P E C I E S I N T E R F A C E
237
The Equilibrium Reaction node solves for a reaction rate so that the equilibrium
condition is always fulfilled in the domain.
c,i is set to unity when the Equilibrium constant is selected on the
Settings window. For non-unity activity coefficients, a user defined
equilibrium condition can be used.
EQUILIBRIUM REACTIONS AND INFLOW BOUNDAR Y CONDITIONS
Contradictory constraints arise if the boundary conditions for concentrations or
activities are set so that the domain equilibrium condition is not fulfilled. Special
treatment is therefore needed at Inflow boundaries, where the concentrations are set
for all species in the mass transport interfaces.
One way of avoiding competing constraints on an inflow boundary is to add an
additional reaction coordinate degree of freedom, solved for to create a set of modified
inflow concentrations that fulfill the domain equilibrium condition. The reaction
coordinate gives rise to a concentration shift, which is the offset to the inflow
concentrations provided by the user. The shift for each species obeys the stoichiometry
of the reaction and the equilibrium expression. The modified inflow concentrations are
then used in the boundary conditions for the domain mass transport equations. The
resulting modified inflow concentrations can be seen as the stationary solution for a
batch reactor with the user inflow concentrations as initial concentrations. In addition,
the domain reaction rate degree of freedom of the equilibrium reaction is constrained
to zero on all Inflow boundaries.
EQUILIBRIUM REACTIONS AND CONCENTRATION BOUNDARY
CONDITIONS
No special treatment is made with regards to input concentration values of the
Concentration boundary node. Using this feature, you can explicitly set one or a set of
concentrations, and the equilibrium condition acts on the rest of the concentrations.
However, there is no solution to the problem if more concentrations than the number
of species minus the number of equilibrium reactions are set using this feature.
EQUILIBRIUM REACTIONS AND TIME-DEPENDENT SIMULATIONS
Spurious oscillations may occur in a time-dependent problem if the initial conditions
do not fulfill the equilibrium condition. Since equilibrium reactions are assumed to be
infinitely fast, the solution is to initialize the problem using an additional study step,
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solving for a stationary problem with all non-equilibrium reaction rates set to zero.
Manual scaling of the reaction rate dependent variables is needed in this study step.
Convective Term Formulation
The default node attributed to The Transport of Diluted Species Interface assumes
chemical species transport through diffusion and convection (a check box to activate
migration is available) and implements the mass balance equation in Equation 8-1.
There are two ways to present a mass balance where chemical species transport occurs
through diffusion and convection. These are the non-conservative and conservative
formulations of the convective term:
c
non-conservative: ----- + u c = ( D c ) + R
t
(8-3)
c
conservative: ----- + ( cu ) = ( D c ) + R
t
(8-4)
and each is treated slightly differently by the solver algorithms. In these equations D
(SI unit: m2/s) is the diffusion coefficient, R (SI unit: mol/(m3s)) is a production or
consumption rate expression, and u (SI unit: m/s) is the solvent velocity field. The
diffusion process can be anisotropic, in which case D is a tensor.
If the conservative formulation is expanded using the chain rule, then one of the terms
from the convection part, cu, would equal zero for an incompressible fluid and
would result in the non-conservative formulation above. This is in fact the default
formulation in this physics interface and ensures that nonphysical source terms do not
emerge from a solution for the flow field. To switch between the two formulations,
) and select Advanced Physics Options.
click the Show button (
Solving a Diffusion Equation Only
Remove the convection term from Equation 8-3 and Equation 8-4 by clearing the
Convection check box in the Transport Mechanisms section for The Transport of
Diluted Species Interface. The equation then becomes
----c= ( D c ) + R
t
T H E O R Y F O R T H E TR A N S P O R T O F D I L U T E D S P E C I E S I N T E R F A C E
239
Mass Sources for Species Transport
There are two types of mass sources in the Transport of Diluted Species interface: point
sources and line sources.
Note: The features below are only available in a limited set of add-on products. For a
detailed overview of which features are available in each product, visit
[Link]
POINT SOURCE
A point source is theoretically formed by assuming a mass injection/ejection, Q c (SI
3
unit: mol/(m s)), in a small volume V and then letting the size of the volume tend
to zero while keeping the total mass flux constant. Given a point source strength, q p,c
(SI unit: mol/s), this can be expressed as
lim
V 0
Qc =
q p,c
(8-5)
An alternative way to form a point source is to assume that mass is injected/extracted
through the surface of a small object. Letting the object surface area tend to zero while
keeping the mass flux constant, results in the same point source. For this alternative
approach, effects resulting from the physical objects volume need to be neglected.
The weak contribution
q p,c test ( c )
is added at a point in the geometry. As can be seen from Equation 8-5, Q c must tend
to plus or minus infinity as V tends to zero. This means that in theory the
concentration also tends to plus or minus infinity.
Observe that point refers to the physical representation of the source. A point source
can therefore only be added to points in 3D components and to points on the
symmetry axis in 2D axisymmetry components. Other geometrical points in 2D
components represent physical lines.
The finite element representation of Equation 8-5 corresponds to a finite
concentration at a point with the effect of the point source spread out over a region
around the point. The size of the region depends on the mesh and on the strength of
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C H A P T E R 8 : C H E M I C A L S P E C I E S TR A N S P O R T I N T E R F A C E S
the source. A finer mesh gives a smaller affected region, but also a more extreme
concentration value. It is important not to mesh too finely around a point source since
this can result in unphysical concentration values. It can also have a negative effect on
the condition number for the equation system.
LINE SOURCE
A line source can theoretically be formed by assuming a source of strength Q l,c (SI
3
unit: mol/(m s)), located within a tube with cross-section S and then letting S
tend to zero while keeping the total mass flux per unit length constant. Given a line
source strength, q l,c (SI unit: mol/(ms)), this can be expressed as
lim
S 0
Ql,c =
q l,c
(8-6)
As in the point source case, an alternative approach is to assume that mass is
injected/extracted through the surface of a small object. This results in the same mass
source, but requires that effects resulting from the physical objects volume are
neglected.
The weak contribution
q l,c test ( c )
is added on lines in 3D or at points in 2D (which represent cut-through views of lines).
Line sources can also be added on the axisymmetry line in 2D axisymmetry
components. It cannot, however, be added on geometrical lines in 2D since those
represent physical planes.
As with a point source, it is important not to mesh too finely around the line source.
For feature node information, see Line Mass Source and Point Mass
Source.
T H E O R Y F O R T H E TR A N S P O R T O F D I L U T E D S P E C I E S I N T E R F A C E
241
Adding Transport Through Migration
Note: Migration is only available in a limited set of add-on products. For a detailed
overview of which features are available in each product, visit
[Link]
In addition to transport due to convection and diffusion, the Transport of Diluted
Species interface supports ionic species transport by migration. This is done by
selecting the Migration in Electric Field check box under the Transport Mechanisms
section for the physics interface. The mass balance then becomes:
c i
+ ( D i c i z i u m, i F c i V + c i u ) = R i
t
(8-7)
where
ci (SI unit: mol/ m3) denotes the concentration of species i
Di (SI unit: m2/s) is the diffusion coefficient of species i
u (SI unit: m/s) is the fluid velocity
F (SI unit: As/mol) refers to Faradays constant
V (SI unit: V) denotes the electric potential
zi (dimensionless) is the charge number of the ionic species, and
um,i (SI unit: mols/kg) its ionic mobility
The velocity, u, can be a computed fluid velocity field from a Fluid Flow interface or
a specified function of the spatial variables x, y, and z. The potential can be provided
by an expression or by coupling the system of equations to a current balance, such as
the ElectrostaticsSecondary Current Distribution interface. Sometimes it is assumed to
be a supporting electrolyte, which simplifies the transport equations.
The Nernst-Einstein relation can in many cases be used for relating the species mobility
to the species diffusivity according to
Di
u m, i = -------RT
where R (SI unit: J/(molK)) is the molar gas constant and T (SI unit: K) the
temperature.
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Note: With regards to migration, the assumption in the Transport of Diluted Species
Interface is that the concentrations are so low that each ionic species does not
contribute to a net charge in the solution. If this assumption does not hold, the
physics interface called Nernst-Planck Equations needs to be used. This latter
includes an electroneutrality condition and also computes the electric potential field
in the electrolyte. For more information, see Theory for the Nernst-Planck Equations
Interface. This interface is included in the Chemical Reaction Engineering Module.
Supporting Electrolytes
In electrolyte solutions, a salt can be added to provide a high electrolyte conductivity
and decrease the ohmic losses in a cell. These solutions are often called supporting
electrolytes, buffer solutions, or carrier electrolytes. The added species, a negative and
a positive ion pair predominates over all other species. Therefore, the supporting
electrolyte species can be assumed to dominate the current transport in the solution.
In addition, the predominant supporting ions are usually selected so that they do not
react at the electrode surfaces since the high conductivity should be kept through the
process, that is, they should not be electro-active species. This also means that the
concentration gradients of the predominant species in a supporting electrolyte are
usually negligible.
Modeling and solving for a supporting electrolyte in the Electrostatics or Secondary
Current Distribution interfaces will give a potential distribution that drives the
migration in the Transport of Diluted Species Interface.
The current density vector is proportional to the sum of all species fluxes as expressed
by Faradays law:
i = F
zi Ni
i
The electroneutrality condition ensures that there is always a zero net charge at any
position in a dilute solution. Intuitively, this means that it is impossible to create a
current by manually pumping positive ions in one direction and negative ions in the
other. Therefore, the convective term is canceled out to yield the following expression
for the electrolyte current density, where j denotes the supporting species:
T H E O R Y F O R T H E TR A N S P O R T O F D I L U T E D S P E C I E S I N T E R F A C E
243
i = F
z j u m , j F c j
2
(8-8)
Equation 8-8 is simply Ohms law for ionic current transport and can be simplified to
i =
(8-9)
where is the conductivity of the supporting electrolyte. A current balance gives the
current and potential density in the cell
i = 0
which in combination with Equation 8-9 yields:
( ) = 0
(8-10)
Equation 8-10 can be easily solved using the Electrostatics or Secondary Current
Distribution interface and, when coupled to the Transport in Diluted Species interface,
the potential distribution shows up in the migration term.
Crosswind Diffusion
Transport of diluted species applications can often result in models with very high cell
Pclt numberthat is, systems where convection or migration dominates over
diffusion. Streamline diffusion and crosswind diffusion are of paramount importance
to obtain physically reasonable results. The Transport of Diluted Species interface
provides two crosswind diffusion options using different formulations. Observe that
crosswind diffusion makes the equation system nonlinear even if the transport
equation is linear.
DO CARMO AND GALEO
This is the formulation described in Numerical Stabilization in the COMSOL
Multiphysics Reference Manual. The method reduces over- and undershoots to a
minimum, even for anisotropic meshes.
In some cases, the resulting nonlinear equation system can be difficult to converge.
This can happen when the cell Pclt number is very high and the model contains
many thin layers such as contact discontinuities. You then have three options:
Refine the mesh, especially in regions with thin layers.
Use a nonlinear solver with a constant damping factor less than one.
Switch to the Codina crosswind formulation.
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CODINA
The Codina formulation is described in Ref. 1. It adds diffusion strictly in the direction
orthogonal to the streamline direction. Compared to the do Carmo and Galeo
formulation, the Codina formulation adds less diffusion but is not as efficient at
reducing over- and undershoots. It also does not work as well for anisotropic meshes.
The advantage is that the resulting nonlinear system is easier to converge and that
under-resolved gradients are less smeared out.
Danckwerts Inflow Boundary Condition
Constraining the composition to fixed values at an inlet to a reactor may sometimes
result in issues with unreasonably high reaction rates or singularities at the inlet
boundary. These problems may many times be mitigated by using a flux boundary
condition instead, based on the inlet concentrations and the fluid velocity. In chemical
engineering this type of flux boundary condition is also known as a Danckwerts
condition.
Use the Danckwerts condition to specify inlet concentrations to domains where high
reaction rates are anticipated in the vicinity to the inlet (Ref. 2).
Given an inlet concentration ci,0 the Danckwerts inflow boundary condition reads
nNi = n (u ci,0)
See further:
Transport of Diluted Species in Porous Media
VA R I A BL Y S AT U R AT E D PO RO U S M E D I A
The following equations for the concentrations, ci, describe the transport of solutes in
a variably saturated porous medium for the most general case, when the pore space is
primarily filled with liquid but also contain pockets or immobile gas:
( c ) + ( c ) + (a c ) + u c =
i
i
t
t b P, i t v G, i
[ ( D D, i + D e, i ) c i ] + R i + S i
(8-11)
On the left-hand side of Equation 8-11, the first three terms correspond to the
accumulation of species within the liquid, solid, and gas phases, while the last term
describes the convection due to the velocity field u (SI unit: m/s).
T H E O R Y F O R T H E TR A N S P O R T O F D I L U T E D S P E C I E S I N T E R F A C E
245
In Equation 8-11 ci denotes the concentration of species i in the liquid (SI unit:
mol/m3), cP, i the amount adsorbed to (or desorbed from) solid particles (moles per
unit dry weight of the solid), and cG, i the concentration of species i in the gas phase.
The equation balances the mass transport throughout the porous medium using the
porosity p, the liquid volume fraction ; the bulk (or drained) density, b = (1 p),
and the solid phase density (SI unit: kg/m3).
For saturated porous media, the liquid volume fraction is equal to the porosity p,
but for partially saturated porous media, they are related by the saturation s as = sp.
The resulting gas volume fraction is av = p = (1-s)p.
On the right-hand side of Equation 8-11, the first term introduces the spreading of
species due to mechanical mixing () as well as from diffusion and volatilization to the
gas phase. The tensor is denoted DD (SI unit: m2/s) and the effective diffusion by De
(SI unit: m2/s).
The last two terms on the right-hand side of Equation 8-11 describe production or
consumption of the species; Ri is a reaction rate expression which can account for
reactions in the liquid, solid, or gas phase, and Si is an arbitrary source term, for
example due to a fluid flow source or sink.
In order to solve for the solute concentration of species i, ci, the solute mass sorbed to
solids cP,i and dissolved in the gas-phase cG,i are assumed to be functions of ci.
Expanding the time-dependent terms gives
c
( i ) + ( b c P, i ) + (a v c G, i) =
t
t
t
(8-12)
c i
p
( + b k P, i + a v k G, i )
+ ( 1 k G, i )c i ( P c P, i k G, i c i )
t
t
t
where kP,i = cP,i/ci is the adsorption isotherm and kG,i = cG,i/ci is the linear
volatilization. Equation 8-11 can then be written as
c i
p
+ ( 1 k G, i )c i ( P c P, i k G, i c i )
+ u c i
t
t
t
(8-13)
= [ ( D D + D e ) c i ] + R i + S i
( + b k P, i + a v k G, i )
SATURATED POROUS MEDIA
In the case of transport in a saturated porous medium, = p and the governing
equations are
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c i
p
+ ( c i P c P, i )
+ u c i =
t
t
[ ( D D, i + F, i D F, i ) c i ] + R i + S i
( p + b k P, i )
(8-14)
Convection
Convection describes the movement of a species, such as a pollutant, with the bulk
fluid velocity. The velocity field u corresponds to a superficial volume average over a
unit volume of the porous medium, including both pores and matrix. This velocity is
sometimes called Darcy velocity, and defined as volume flow rates per unit cross
section of the medium. This definition makes the velocity field continuous across the
boundaries between porous regions and regions with free flow.
The velocity field to be used in the Model Inputs section on the physics
interface can, for example, be prescribed using the velocity field from a
Darcys Law or a Brinkman Equations interface.
The average linear fluid velocities ua, provides an estimate of the fluid velocity within
the pores:
u
u a = ----p
Saturated
u
u a = ---
Partially saturated
where p is the porosity and = sp the liquid volume fraction, and s the saturation, a
dimensionless number between 0 and 1.
T H E O R Y F O R T H E TR A N S P O R T O F D I L U T E D S P E C I E S I N T E R F A C E
247
Figure 8-1: A block of a porous medium consisting of solids and the pore space between the
solid grains. The average linear velocity describes how fast the fluid moves within the pores.
The Darcy velocity attributes this flow over the entire fluid-solid face.
Convective Term Formulation
The Transport of Diluted Species in Porous Media interface includes two formulations
of the convective term. The conservative formulation of the species equations in
Equation 8-11 is written as:
c
( i ) + ( b c P, i ) + (a v c G, i) + uc i =
t
t
t
[ ( D D, i + D e, i ) c i ] + R i + S i
(8-15)
If the conservative formulation is expanded using the chain rule, then one of the terms
from the convection part, ciu, would equal zero for an incompressible fluid and
would result in the non-conservative formulation described in Equation 8-11.
When using the non-conservative formulation, which is the default, the fluid is
assumed incompressible and divergence free: u = 0. The non-conservative
formulation improves the stability of systems coupled to a momentum equation (fluid
flow equation).
To switch between the two formulations, click the Show button (
) and
select Advanced Physics Options. In the section Advanced Settings select
either Non-conservative form (the default) or Conservative form. The
conservative formulation should be used for compressible flow.
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Diffusion
The effective diffusion in porous media, De, depends on the structure of the porous
material and the phases involved. Depending on the transport of diluted species occurs
in free flow, saturated or partially saturated porous media, the effective diffusivity is
defined as:
De = DL
Free Flow
p
D e = ----- D L
L
Saturated Porous Media
D e = ----- D L
L
Partially Saturated Porous Media
av
D e = ----- D L + ------ k G D G Partially Saturated with Volatilization
L
G
Here DL and DG are the single-phase diffusion coefficients for the species diluted in
pure liquid and gas phases respectively (SI unit: m2/s), and L and G are the
corresponding tortuosity factors (dimensionless).
The tortuosity factor accounts for the reduced diffusivity due to the fact that the solid
grains impede Brownian motion. The interface provides predefined expressions to
compute the tortuosity factors in partially saturated porous media according to the
Millington and Quirk model (Ref. 12):
F =
7 3 2
7 3 2
F =
5 2 2
5 2 2
, G = av
and Bruggeman model
, G = av
For saturated porous media = p. The fluid tortuosity for the Millington and Quirk
model is
F = p
1 3
and for the Bruggeman model the tortuosity is defined as
F = p
1 2
User defined expressions for the tortuosity factor can also be applied.
T H E O R Y F O R T H E TR A N S P O R T O F D I L U T E D S P E C I E S I N T E R F A C E
249
Dispersion
The contribution of dispersion to the mixing of species typically overshadows the
contribution from molecular diffusion, except when the fluid velocity is very small.
The spreading of mass, as species travel through a porous medium is caused by several
contributing effects. Local variations in fluid velocity lead to mechanical mixing
referred to as dispersion occurs because the fluid in the pore space flows around solid
particles, so the velocity field varies within pore channels. The spreading in the
direction parallel to the flow, or longitudinal dispersivity, typically exceeds the
transverse dispersivity from up to an order of magnitude. Being driven by the
concentration gradient alone, molecular diffusion is small relative to the mechanical
dispersion, except at very low fluid velocities.
Figure 8-2: Spreading of fluid around solid particles in a porous medium.
is controlled through the dispersion tensor DD. The tensor components can either be
given by user-defined values or expressions, or derived from the directional
dispersivities.
Using the longitudinal and transverse dispersivities in 2D, the dispersivity tensor
components are (Ref. 9):
2
D Dii
ui
uj
= L ------- + T ------u
u
ui uj
D Dij = D Dji = ( L T ) ----------u
In these equations, DDii (SI unit: m2/s) are the principal components of the
dispersivity tensor, and DDji and DDji are the cross terms. The parameters L and T
(SI unit: m) specify the longitudinal and transverse dispersivities; and ui (SI unit: m/s)
stands for the velocity field components.
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C H A P T E R 8 : C H E M I C A L S P E C I E S TR A N S P O R T I N T E R F A C E S
In order to facilitate modeling of stratified porous media in 3D, the tensor formulation
by Burnett and Frind (Ref. 10) can be used. Consider a transverse isotropic media,
where the strata are piled up in the z direction, the dispersivity tensor components are:
2
u
v
w
D Lxx = 1 ------- + 2 ------- + 3 ------u
u
u
v
u
w
D Lyy = 1 ------- + 2 ------- + 3 ------u
u
u
w
u
v
D Lzz = 1 ------- + 3 ------- + 3 ------u
u
u
uv
D Lxy = D Lyx = ( 1 2 ) ------u
uw
D Lxz = D Lzx = ( 1 3 ) -------u
vw
D Lyz = D Lzy = ( 1 3 ) -------u
(8-16)
In Equation 8-16 the fluid velocities u, v, and w correspond to the components of the
velocity field u in the x, y, and z directions, respectively, and 1 (SI unit: m) is the
longitudinal dispersivity. If z is the vertical axis, 2 and 3 are the dispersivities in the
transverse horizontal and transverse vertical directions, respectively (SI unit: m).
Setting 2 = 3 gives the expressions for isotropic media shown in Bear (Ref. 9 and
Ref. 11).
Adsorption
As species travel through a porous medium they typically attach to (adsorb), and
detach (desorb) from the solid phase, which slows chemical transport through the
porous medium. Adsorption and desorption respectively reduces or increases species
concentrations in the fluid. The adsorption properties vary between chemicals, so a
plume containing multiple species can separate into components (Ref. 6). The physics
interface predefines three relationships to predict the solid concentrations, cPi from the
concentration in the liquid phase, ci:
T H E O R Y F O R T H E TR A N S P O R T O F D I L U T E D S P E C I E S I N T E R F A C E
251
cP = KP c
cP = KF c
K L c Pmax c
c P = ------------------------1 + KL c
c P
-------- = ( K P c )
c
c
c P
-------- = NK F c N 1
c
K L c Pmax
c P
-------- = --------------------------2
c
( 1 + KL c )
User defined
Freundlich (Ref. 3)
(8-17)
Langmuir (Ref. 4, Ref. 5)
The above equations contains the following parameters:
User defined isotherm KP (dimensionless)
Freundlich exponent N (dimensionless), Freundlich constant KF
(SI unit m3Nmol(1-N)/kg).
Langmuir: maximum cPmax (SI unit mol/m3), Langmuir constant KL
(SI unit m3/mol).
These predefined expressions are adsorption isotherms that describe the amount of
species sorbed to the solid. Defined at equilibrium, the switch between liquid and solid
phases is instantaneous. In COMSOL Multiphysics, arbitrary expressions can be
entered to define, for example, non-equilibrium and temperature-dependent
adsorption laws, including those set out by Fetter (Ref. 7) and Bear and Verruijt (Ref.
8).
The retardation factor, RF, describes how adsorption slows the solute velocity, uc,
relative to the average linear velocity of the fluid, ua, as in
b c P
ua
RF = 1 + ------ -------- = ----- c
uc
If the contaminant moves at the average linear velocity of the fluid for RF = 1. For
RF > 1, the contaminant velocity is smaller than the fluid velocity owing to residence
time on solids.
Reactions
Chemical reactions of all types influence species transport in porous media. Examples
include biodegradation, radioactive decay, transformation to tracked products,
temperature- and pressure-dependent functions, exothermic reactions, and
endothermic reactions. The reactions represent change in species concentration per
unit volume porous medium per time. Reaction terms are used on the right-hand side
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C H A P T E R 8 : C H E M I C A L S P E C I E S TR A N S P O R T I N T E R F A C E S
of the governing equation to represent these processes. For reactions in a fluid phase,
multiply the expression by the fluid volume fraction . Similarly, solid phase reaction
expressions include the bulk density, b, and gas phase reactions include the gas
volume fraction, av.
Theory for the Reactive Pellet Bed
The feature Reactive Pellet Bed, available to users of the Chemical Reaction
Engineering Module, adds to the transport of diluted species interface a domain
feature that can simulate regions filled with spherical reactive catalyst pellets, as in
packed bed reactors. The pellets are simulated with the Extra Dimension technology
provided by COMSOL: A 1D, 2D, or 3D domain comprises the bed volume. The
extra dimension is the added radial microscale dimension inside each pellet.
Outflow
Macroscale: c
Concentration in
fluid passing through
bed
cpe
Microscale:
Concentration
in porous pellet
Inflow
Pellet of radius rpe
Figure 8-3: Schematic showing the macroscale (bed volume) and the microscale (pellet)
T H E O R Y F O R T H E TR A N S P O R T O F D I L U T E D S P E C I E S I N T E R F A C E
253
The transport and reaction equations inside the pellets is done with an extra dimension
feature attached to the 1D, 2D, or 3D physics interfaces, including axisymmetric cases.
The equations inside the spherical pellet are solved as a spherical transport equations
on a non-dimensional radial coordinate on the domain 0-1. Different pellet radii and
even uneven radius distributions can be used.
The model equations assume spherical particles of a radius rpe. Consider the microscale
concentration cpe inside an individual porous pellet or particle, and the
macro-concentration c in the packed bed gas volume.
The pellet radius input can be:
one uniform pellet radius, that can be space dependent f (x, y, z),
binary, ternary, and so on, mix up to 5 radii. The user inputs a table with the mix of
sizes (1 mm, 2 mm, for example), and a percentage of each. Different chemical
reactions per pellet size can be specified.
The model equation for the bulk (macroscale) species is, for example:
b (c i) + u c i + ( D b, i c i ) = R i
t
(8-18)
The dependent variable c for each chemical species i represents the interstitial
concentration (SI unit: mol/m3), that is, the physical concentration based on unit
volume of fluid flowing between the pellets.
b is the bed porosity (SI unit: 1). It should be noted that the R term on the right
hand side is per unit volume of bed, (SI unit: mol/(m3 s)).
Looking inside a pellet: Assuming no concentration variations in the space-angle (, )
direction, but only in the radial (r) direction of the spherical particle allows a
spherically symmetric reaction-diffusion transport equation inside the pellet. If rdim
(SI unit: m) is the spatial radial coordinate in the pellet, and rpe is the pellet radius, the
non-dimensional coordinate r=rdim/rpe can defined. The modeling domain on r goes
from 0 to 1.
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C H A P T E R 8 : C H E M I C A L S P E C I E S TR A N S P O R T I N T E R F A C E S
r_pe (pellet perimeter)
0 (center)
Figure 8-4: Modeling domain in a pellet for a dimensional coordinate (top) and
non-dimensional coordinate (bottom.)
A shell mole balance across a spherical shell at radius rdim (SI unit: m), and a
subsequent variable substitution r = rdim/rpe gives the following governing equation
inside the pellet on the domain 0<r<1:
2 2
2
2
4N r r pe pe (c pe, i) + ( r D pe, i c pe, i ) = r r pe R pe, i
(8-19)
where
N is the number of pellets per unit volume of bed.
Equally as in Equation 8-18, cpe is the interstitial (physical) species concentration in
moles/m3 fluid volume element inside the pore channel,
Rpe is the reaction rate in moles/(m3 s) of particle volume. It should be stressed
that the user input of R is per unit volume of pellet.
The effective diffusion coefficient in Equation 8-18 and Equation 8-19 depend on the
porosity pe, tortuosity and the physical gas diffusivity D of in the porous particle
generally as
pe D
D pe = ------------ .
The available tortuosity models for porous media are the Millington and Quirk (Ref.
12),
= pe
1 3
D pe = pe
43
D,
(8-20)
Bruggemann,
T H E O R Y F O R T H E TR A N S P O R T O F D I L U T E D S P E C I E S I N T E R F A C E
255
= pe
1 2
D pe = pe
32
(8-21)
and the Tortuosity model, where the tortuosity expression is entered as user input:
pe D
D pe = -----------
(8-22)
These are readily used for both gaseous and liquid fluids along with various types of
particle shapes. For instance, the first model has been shown to fit mass transport in
soil-vapor and soil-moisture well.
Equation 8-18 can be solved for two types of boundary conditions at the interface
between the pellet surface and the fluid in this feature.
Continuous concentrations: assuming that all resistance to mass transfer is within the
pellet and no resistance to pellet-fluid mass transfer on bulk fluid side. The
concentration in the fluid will thus be equal to that in the pellet pore just at the
pellet surface: c pe,i = c i . This constraint also automatically ensures flux continuity
between the pellet system and the free fluid system though so-called reaction forces
in the finite element formulation.
Film resistance (mass flux): The flux of mass across the pellet-fluid interface into the
pellet is possibly rate determined on the bulk fluid side. The resistance is expressed
in terms of a film mass transfer coefficient, hDi, such that:
N i,inward = h D, i ( c ii c pe, i ) ,
(8-23)
where Ni, inward is the molar flux from the free fluid into a pellet and has the unit
moles/(m2 s).
With the film resistance formulation, the free fluid Equation 8-18 needs to be
amended for flux continuity so that
b (c i) + u c i + ( D b, i c i ) = R i N i,inward S b
t
(8-24)
where Sb (SI unit: m2/m3) is the specific surface area exposed to the free fluid of the
packed bed (not including the inside of the pores).
For the case of randomly packed spherical particles, the specific surface area exposed
to the free fluid is (Ref. 3):
3
S b = ------- ( 1 b )
r pe
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C H A P T E R 8 : C H E M I C A L S P E C I E S TR A N S P O R T I N T E R F A C E S
(8-25)
The mass transfer coefficient in Equation 8-23 can be computed from the fluid
properties and flow characteristics within the porous media. For this, the Sherwood,
Sh, number defined as the ratio between the convective mass transfer coefficient and
the diffusive mass transfer coefficient is often used:
hL
Sh = -------D
where L is a characteristic length (for spheres typically the radius) and D the diffusion
coefficient in the fluid. From the Sherwood number definition, the mass transfer
coefficient can be computed.
Three commonly used empirical expressions for the calculation of the Sherwood
number are the Frssling relation (Ref. 4):
Sh = 2 + 0.552Re
12
Sc
13
(8-26)
which was measured on particles in the size region 1 mm, the Rosner relation (Ref. 5)
Sh = Sc
0.4
( 0.4Re
12
+ 0.2Re
23
),
(8-27)
and the Garner and Keey relation (Ref. 4)
Sh = 0.94Re
12
Sc
13
(8-28)
which was measured for Re numbers greater than 250.
All three depend on the Reynolds, Re, and Schmidt, Sc, numbers. The first describing
the fluid flow regime (laminar vs turbulent) and the second, the ratio between the
viscous diffusion rate and the molecular (mass) diffusion rate. In the expressions,
properties such as velocity, u, dynamic viscosity, , and density, , of the fluid are
included.
uL
Re = ----------
Sc = -------D
T H E O R Y F O R T H E TR A N S P O R T O F D I L U T E D S P E C I E S I N T E R F A C E
257
References
1. R. Codina, A discontinuity-capturing crosswind-dissipation for the finite element
solution of the convection-diffusion equation, Computer Methods in Applied
Mechanics and Engineering, vol. 110, pp. 325342, 1993.
2. P.V. Danckwerts, Continuous flow systems: Distribution of residence times,
Chem. Eng. Sci., vol. 2, no. 1, 1953.
3. J.M. Coulson and J.F. Richardson, Chemical Engineering, vol. 2, 4th ed.,
Pergamon Press, Oxford, U.K., 1991.
4. J.M. Coulson and J.F. Richardson, Chemical Engineering, vol. 1, 4th ed.,
Pergamon Press, Oxford, U.K., 1991.
5. D.E Rosner, Transport Processes in Chemically Reacting Flow Systems, ISBN-13:
978-1483130262, Butterworth-Heinemann, 1986
6. D.M. Mackay, D.L. Freyberg, P.V. Roberts, and J.A. Cherry, A Natural Gradient
Experiment on Solute Transport in a Sand Aquifer: 1. Approach and Overview of
Plume Movement, Water Resourc. Res., vol. 22, no. 13, pp. 20172030, 1986.
7. C.W. Fetter, Contaminant Hydrogeology, Prentice Hall, 1999.
8. J. Bear and A. Verruijt, Modeling Groundwater Flow and Pollution, D. Reidel
Publishing, 1994.
9. J. Bear, Hydraulics of Groundwater, McGraw-Hill, 1979.
10. R.D. Burnett and E.O. Frind, An Alternating Direction Galerkin Technique for
Simulation of Groundwater Contaminant Transport in Three Dimensions: 2.
Dimensionality Effects, Water Resour. Res., vol. 23, no. 4, pp. 695705, 1987.
11. J. Bear, Dynamics of Fluids in Porous Media, Elsevier Scientific Publishing, 1972.
12. R.J. Millington and J.M. Quirk, Permeability of Porous Solids, Trans. Faraday
Soc., vol. 57, pp. 12001207, 1961.
13. I. Langmuir, Chemical Reactions at Low Temperatures, J. Amer. Chem. Soc.,
vol. 37, 1915.
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C H A P T E R 8 : C H E M I C A L S P E C I E S TR A N S P O R T I N T E R F A C E S
Glossary
This Glossary of Terms contains finite element modeling terms specific to the
Microfluidics Module and its applications. For mathematical terms as well as
geometry and CAD terms specific to the COMSOL Multiphysics software and its
documentation, see the glossary in the COMSOL Multiphysics Reference Manual.
To find references in the documentation set where you can find more information
about a given term, see the index.
259
Glossary of Terms
absorption (gas) Uptake of a gas into the bulk of a liquid. Gas absorption takes place,
for example, in the liquid of a scrubber tower where an up-streaming gas is washed by
a down-going flow of a scrubber solution.
adsorption (molecule) Attachment of a molecule or atom to a solid surface.
Adsorption involves a chemical bond between the adsorbed species and the surface.
ALE See arbitrary Lagrangian-Eulerian method.
arbitrary Lagrangian-Eulerian (ALE) method A technique to formulate equations in a
mixed kinematical description. An ALE referential coordinate system is typically a mix
between the material (Lagrangian) and spatial (Eulerian) coordinate systems.
biosensor A general term for sensor devices that either detect biological substances or
use antibodies, enzymes, or other biological molecules in their operation. Biosensors
are a subcategory of chemical sensors.
Bond number A dimensionless number given by the ratio of surface tension forces to
body forces (usually gravity) for a two-phase flow. It is also known as the Etvs
number, Eo. At high Bond numbers surface tension has a minimal effect on the flow;
at low Bond numbers, surface tension dominates. The Bond number, Bo, is given by:
2
gL
Bo = -------------
where is the density, g is the body force acceleration, L is the characteristic length,
and is the surface tension coefficient. The density can refer to a density difference
when considering buoyancy.
Brinkman equations A set of equations extending Darcys law in order to include the
transport of momentum through shear in porous media flow.
capillary number A dimensionless number given by the ratio of viscous forces to
surface tension for a two phase flow. At low capillary numbers flow in porous media is
dominated by surface tension. The capillary number, Ca, is given by:
260 |
CHAPTER 9: GLOSSARY
v
Ca = -----
where is the viscosity, v is the characteristic velocity of the problem, and is the
surface tension coefficient.
continuum flow Fluid flow which is well described by approximating the liquid as a
continuum with the Navier-Stokes equations.
convection Transport of molecules or heat due to the movement of the surrounding
medium.
creeping flow Models the Navier-Stokes equations without the contribution of the
inertia term. This is often referred to as Stokes flow and is appropriate for use when
viscous flow is dominant, such as in very small channels or microfluidic applications.
crosswind diffusion A numerical technique for stabilization of the numeric solution to
a convection-dominated PDE by artificially adding diffusion perpendicular to the
direction of the streamlines.
Darcys Law Equation that gives the velocity vector as proportional to the pressure
gradient. Often used to describe flow in porous media.
Debye layer See electric double layer.
dielectrophoresis (DEP) Migration of polarizable particles in an electrolyte in a
nonuniform applied electric field.
diffusion Transport of material resulting from the random motion of molecules in the
presence of a concentration gradient.
Dukhin number A dimensionless number given by the ratio of the surface conductivity
contribution to the fluid bulk electrical conductivity contribution in electrokinetic
phenomena. The Dukhin number, Du, is given by:
K
Du = ------B
K
where K is the surface conductivity and KB is the bulk conductivity. For low Dukhin
numbers, surface conductivities can be neglected when modeling electrokinetic flows.
G L O S S A R Y O F TE R M S
261
electric double layer (EDL) Sometimes referred to as the Debye layer. At the contact
of a solid and a polar fluid (such as water), the solid acquires an electric charge. This
charge attracts ions within the fluid, and a narrow fluid layer of opposite charge, the
Stern layer, forms on the boundary. In addition, adjacent to the Stern layer, a wider
layer with the same charge as in the Stern layer forms in the fluid. Together, the Stern
layer and the wider layer (called the diffuse or Gouy-Chapman layer) form the electric
double layer. Due to the close distance between the charges, the Stern layer is fixed on
the surface, but the more distant diffuse layer can move.
electrohydrodynamics A general term describing phenomena that involve the
interaction between solid surfaces, ionic solutions, and applied electric and magnetic
fields. It is frequently used in microfluidic devices to manipulate fluids and move
particles for sample handling and chemical separation.
electrokinetics Study of the motion of charged particles under an applied electric field
in moving substances such as water.
electrokinetic flow Transport of fluid or charged particles within a fluid by means of
electric fields. See also electroosmosis, electrophoresis, electrothermal flow, and
dielectrophoresis.
electrolyte A solution that can carry an electric current through the motion of ions.
electroosmosis Fluid flow in a narrow channel produced by the movement of the
electric double layer (EDL) along the channel boundary under the influence of an
applied electric field. Also, fluid flow through a membrane under the influence of an
applied electric field. See also electric double layer.
electroosmotic flow See electroosmosis.
electrophoresis Migration of charged electrolyte ions or particles in an applied electric
field.
electrothermal effects These effects occur in a conductive fluid where the
temperature is modified by Joule heating from an AC electric field. This creates
variations in conductivity and permittivity and thus Coulomb and dielectric body
forces.
262 |
CHAPTER 9: GLOSSARY
electrothermal flow Fluid flow resulting from an applied nonuniform AC electric field
on a fluid. The Joule heating changes the fluids electrical properties locally, and that
effect, together with the power gradient of the AC electric field, results in fluid motion.
electrowetting The electrowetting effect describes the change in solid-electrolyte
contact angle that occurs when a potential difference is applied between the solid and
the electrolyte.
electrowetting-on-dielectric (EWOD) A form of electrowetting in which a thin
insulating layer separates the conducting solid surface from the electrolyte.
Etvs number See Bond number.
Eulerian frame A frame of reference with its coordinate axes fixed in space.
Ficks laws The first law relates the concentration gradients to the diffusive flux of low
concentration solute diluted in a solvent. The second law introduces the first law into
a differential material balance for the solute.
fluid-structure interaction (FSI) When a flow affects the deformation of a solid object
and vice versa.
free molecular flow The flow of gas molecules through a geometry which is much
smaller than the mean free path (Knudsen number, Kn>10). In the free molecular flow
regime the gas molecules collide with the walls of the geometry much more frequently
than they collide with themselves.
fully developed laminar flow Laminar flow along a channel or pipe that has velocity
components only in the main direction of the flow. The velocity profile perpendicular
to the flow does not change downstream in the flow.
Gouy-Chapman layer See electric double layer (EDL).
Hagen-Poiseuille equation See Poiseuilles law.
Helmholtz-Smoluchowski equation Gives the velocity of a parallel electroosmotic flow
for an applied electric field.
intrinsic volume averages The physical properties of the fluid, such as density,
viscosity, and pressure.
G L O S S A R Y O F TE R M S
263
Knudsen number A dimensionless number that provides a measure of how rarefied a
gas flow is, in other words, the mean free path of the gas molecules compared to the
length scale of the flow. The following equation defines the Knudsen number Kn
where is the mean free path of the molecules and L is a length scale characteristic to
the flow.
Kn = ---L
Knudsen layer A layer of rarefied fluid flow that occurs within a few mean free paths
of the walls in a gas flow. The continuum Navier-Stokes equations break down in this
layer.
Lagrangian frame A frame of reference with its coordinate axes fixed in a reference
configuration of a deforming material. As the material deforms, the Lagrangian frame
deforms with it.
Laplace number The Laplace number, La, (also known as the Surataman number, Su)
relates the inertial and surface tension forces to the viscous forces. It is used to describe
the breakup of liquid jets and sheets: at high Laplace and low Reynolds numbers the
Rayleigh Instability occurs, at low Laplace and high Reynolds numbers atomization
occurs. The Laplace number is given by:
L
La = ---------2
where is the fluid density, is the surface tension coefficient, L is the characteristic
length scale of the problem, and is the viscosity. The Laplace number is directly
related to the Ohnesorge number, Oh, through the equation La=1/Oh2.
Mach number Ratio of the convective speed, v, to the speed of sound in the medium,
a. The Mach number, Ma, is defined by the equation:
v
Ma = --a
magnetohydrodynamics Fluid flow phenomena involving magnetic fields.
magnetophoresis Migration of magnetic or paramagnetic particles suspended in a
fluid as a result of an applied magnetic field. The field must be non-uniform in the case
of paramagnetic particles.
264 |
CHAPTER 9: GLOSSARY
Marangoni effect Fluid flow parallel to an interface induced by surface tension
gradients.
Marangoni number Ratio of thermal surface tension forces to viscous forces. The
Marangoni number, Mg, is given by:
d LT
Mg = -------- -----------dT
where is the surface tension coefficient, T is the absolute temperature (T is the
characteristic temperature difference), L is the characteristic length, and is the
thermal diffusivity (=/(cp)), where cp is the heat capacity at constant pressure, is
the thermal conductivity, and is the density of the fluid.
microfluidics Study of the behavior of fluids at the microscale. Also refers to MEMS
fluidic devices.
migration The transport of charged species in an electrolyte due to the electric force
imposed by the electric field.
mobility The relation between the drift velocity of a molecule within a fluid and the
applied electric field.
Newtonian flow Flow characterized by a constant viscosity or a viscosity that is
independent of the shear rate in the fluid.
Nernst-Plank equation Flow equation that describes the flux of an ion through
diffusion, convection, and migration in an electric field. The equation is valid for
diluted electrolytes.
Ohnesorge number A dimensionless number relating the inertial and surface tension
forces to the viscous forces. Used to describe the breakup of liquid jets and sheets: at
low Ohnesorge and Reynolds numbers the Rayleigh instability occurs; at high
Ohnesorge and Reynolds numbers atomization occurs. The Ohnesorge number, Oh,
is given by:
Oh = --------------L
G L O S S A R Y O F TE R M S
265
where is the fluid density, is the surface tension coefficient, L is the characteristic
length scale of the problem, and is the viscosity. The Ohnesorge number is directly
related to the Laplace number, La, through the equation Oh=1/La1/2.
Peclet number A dimensionless number describing the ratio of convection to
diffusion in a fluid flow. The Peclet number, Pe, can be used to describe concentration
diffusion or heat diffusion. It is given by:
vL
Pe = ------D
where v is the convective velocity, L is the flow length scale, and D is the diffusion
constant.
Poiseuilles law Equation that relates the mass rate of flow in a tube as proportional to
the pressure difference per unit length and to the fourth power of the tube radius. The
law is valid for fully developed laminar flow.
Reynolds number A dimensionless number classifying how laminar or turbulent a flow
is. The Reynolds number Re is a measure of the relative magnitude of the flows
viscous and inertial forces. It is defined by the following equation where is the fluid
density, is the dynamic viscosity, is its kinematic viscosity, v is a velocity
characteristic to the flow, and L is a length scale characteristic to the flow.
vL
vL
Re = ----------- = ------
slip flow Fluid flow that occurs when the Knudsen number, Kn, is in the range
0.01<Kn<0.1. As a result of rarefaction effects in the Knudsen layer the no slip
boundary condition fails. The flow outside the Knudsen layer can be represented by
the continuum Navier-Stokes equations provided that an appropriate slip boundary
condition is used for the fluid flow and the correct temperature jump boundary
condition is applied at the interface.
streamline diffusion A numerical technique for stabilization of the numeric solution to
a convection-dominated PDE by artificially adding diffusion in the direction of the
streamlines.
Stern layer A layer of immobile ions and associated solvent molecules present at the
solid-liquid interface in an electric double layer (EDL).
266 |
CHAPTER 9: GLOSSARY
Stokes flow See creeping flow.
superficial volume averages The flow velocities, which correspond to a unit volume of
the medium including both pores and matrix. They are sometimes called Darcy
velocities, defined as volume flow rates per unit cross section of the medium.
surface tension Surface tension is a property of the surface of a liquid that allows it to
resist an external force. Equivalently it can be through of as the energy per unit area of
the liquid surface. It is caused by asymmetries in the cohesive forces between molecules
at the surface of the liquid.
Surataman number See Laplace number.
transitional flow Fluid flow that occurs when the Knudsen number, Kn, is in the range
0.1<Kn<10. In this regime the flow is so rarefied that continuum equations break
down completely. However collisions between the molecules are still important, so free
molecular flow is not applicable.
Weber number A dimensionless number describing the ratio of inertial forces to
surface tension forces. The Weber number is given by:
2
v L
We = ------------
where is the density of the fluid, v is the characteristic velocity of the flow, L is the
characteristic length scale, and is the surface tension coefficient.
zeta potential The potential of at the interface between the electric double layer and
a solid surface in an electrolyte.
G L O S S A R Y O F TE R M S
267
268 |
CHAPTER 9: GLOSSARY
I n d e x
2D axisymmetric models
tpf interfaces 115
laminar flow and 84
A
transport of diluted species 213
absolute pressure 66, 182
boundary stress (node) 76
AC electric fields 52
Boussinesq approximation 89
AC electroosmosis 48
Brinkman equations 191
AC/DC Module 51
Brinkman equations interface 176
theory 191
Application Libraries window 23
application library examples
Cahn-Hilliard equation 162
capillary number 34
creeping flow 64
Carreau model 88
electroosmosis 48
CFL number
electroosmotic velocity 93
settings 63
electrowetting lens 53
theory 107
laminar flow 63
chemical potential variable 165
laminar two-phase flow, level set (tpf)
Chemical Reaction Engineering Module
114
laminar, two-phase flow, moving mesh
124
migration in electric field 216217
convection and diffusion 216
15, 44
chemical transport and reactions, modeling 44
Clausius-Mosotti factor
slip flow 198
dielectrophoresis 50
transport of diluted species 211
magnetophoresis 51
Babuska-Brezzi condition 103
common settings 20
Basset history term 108
complex permittivity 50
Bond and Etvs numbers 34
compressible flow 86
boundary conditions
concentration (node)
inlet and outlet, theory 93
boundary nodes
transport of diluted species 220
continuity (node) 202
Brinkman equations 178
continuity equation, Darcys law 189
Darcys law interface 169
continuum flow 56
free and porous media flow 184
convection 247
laminar two-phase flow, moving mesh
convective terms, diluted species 239
124
coupling interfaces 46
level set 149
coupling, fluid flow and electric fields 46
phase field 153
creeping flow 113, 196
slip flow 198
creeping flow (spf) interface 63
crosswind diffusion
INDEX|
269
fluid flow 102
electrokinetic flows 46
crosswind diffusion, in fluid flow 32
D
electrokinetics 46
electroosmosis 47
Darcy velocity 173, 189
electroosmotic velocity, wall boundary
Darcys law interface 168
condition 69
theory 189
theory 92
Debye layer, electroosmosis and 47
electrophoresis 46, 49
Debye length 47
electrothermally driven flow 52
Debye-Hckel approximation 47
electrowetting on dielectric (EWOD) 53
dielectrophoresis (DEP) 49
emailing COMSOL 23
dimensionless numbers 3133
entrance length 71
Dirichlet boundary condition 32
Equilibrium Reaction
discontinuous Galerkin
theory for 237
fluid flow 108
equilibrium reaction (node) 225
documentation 21
exit length 74
domain nodes
external fluid interface (node) 129
Brinkman equations 178
external slip wall (node) 200
Darcys law 169
free and porous media flow 184
laminar two-phase flow, moving mesh
124
fixed mesh (node) 127
flow continuity (node) 78
flow rate in SCCMs 73
phase field 153
flow regimes, for rarefied flows 56
slip flow 198
fluid (node) 199
tpf interfaces 115
fluid and matrix properties (node)
double dot product 83
Dukhin number 34
edge nodes
Darcys law interface 169
laminar two-phase flow, moving mesh
124
slip flow 198
electric double layer (EDL), electroosmosis and 47
electrode-electrolyte interface coupling
(node)
transport of diluted species 227
electrohydrodynamics, definition 46
270 | I N D E X
Faradays law 243
level set 149
transport of diluted species 213
Brinkman equations 179
Darcys law 171
fluid flow
Brinkman equations theory 191
Darcys law theory 189
electrothermally driven 52
Mach number 85
particle tracing 108
single-phase theory 82
two-phase flow moving mesh theory
138
fluid properties (node)
free and porous media flow 185
single-phase, laminar flow 65
tpf interfaces 118
Darcys law 172
fluid-fluid interface (node) 128
free and porous media flow 187
flux (node)
laminar two-phase flow, moving mesh
transport of diluted species 221
127
flux discontinuity (node) 221
level set 150
Darcys law 174
phase field 155
transport of diluted species 221
single-phase, laminar flow 68
Forchheimer drag (node)
slip flow 201
Brinkman equations 179
tpf interfaces 121
free and porous media flow 187
transport of diluted species 217
free and porous media flow interface 183
initializing functions 159, 165
theory 194
inlet (node) 173
free deformation (node) 126
level set 150
Freundlich exponent 252
phase field 155
single-phase flow 70
Galerkin formulation, fluid flow 108
inlet boundary condition, theory 93
Galerkin least-squares (GLS), stabiliza-
interface normal variable 160
tion 103
Internet resources 21
general stress (boundary stress condi-
intrinsic volume averages 191
tion) 76
inverted mesh element, warning 127
geometry frames 139
isotropic diffusion 32
geometry shape order 128
fluid flow 102
Ginzburg-Landau equation 163
gravity (node) 120
Joule heating 52
heat transfer 54
Khan-Richardson model 109
Heat Transfer Module 53
knowledge base, COMSOL 24
Helmholtz-Smoluchowski equation 48,
Knudsen layer 57
Knudsen number 14, 34, 56
92
Henrys function 49
Hygroscopic Swelling 233
I
incompressible flow theory 86
inflow (node) 219
initial interface (node)
level set 151
phase field 155
tpf interfaces 121
initial values (node)
Brinkman equations 181
lab-on-a-chip devices 14
laminar flow
Reynolds number, and 86
laminar flow interface 60
theory 82
laminar inflow (inlet boundary condition)
71
laminar outflow (outlet boundary condition) 74
laminar two-phase flow
INDEX|
271
moving mesh interface 122
level set 148
laminar two-phase flow, level set (tpf) in-
phase field 152
terface 112
theory 157, 162
laminar two-phase flow, phase field (tpf)
mean curvature variable 160
interface 114
MEMS Module 188
Langmuir constant 252
MEMS, definition 14
Laplace number 35
mesh frames 139
leaking wall, wall boundary condition 69
microfluidic wall conditions (node) 187
level set functions, initializing 159, 165
microfluidics
level set interface 148
definition 14
theory 132, 157
dimensionless numbers, and 3133
level set model (node) 149
modeling techniques 28
line mass source (node)
stabilization techniques 32
fluid flow 80
modeling
species transport 222
electrohydrodynamics 46
line source
microfluidics 28
fluid flow 101
transport of chemical species and ions
species transport 241
44
local
moving interfaces 162
CFL number 63, 107
M
MPH-files 23
multiphase flow
Mach number 34
moving mesh theory 138
definition, single-phase flow 85
multiphase flow theory 132, 157, 162
magnetohydrodynamics 46
magnetophoresis 46, 51
Navier slip (node) 130
Navier-Stokes equations 83, 132
mass based concentrations (node) 217
Nernst-Einstein relation 215, 242
mass conservation, level set equations
Newtonian model 88
135
mass flow inlet, theory 96
niterCMP variable 107
no flow (node)
mass flow rate, theory 96
Darcys law 174
mass flux (node) 173
level set 151
mass source (node)
no flux (node) 219
Brinkman equations 180
no slip, wall boundary condition 68
Darcys law 172
no viscous stress (open boundary) 76
mass sources
fluid flow 100
272 | I N D E X
Marangoni number 35
nodes, common settings 20
non-conservative formulations 135, 239
material frames 139
non-Newtonian fluids 84
mathematics, moving interfaces
normal stress, normal flow (boundary
stress condition) 77
species transport 223
numerical instability, dimensionless num-
point nodes
bers and 31
O
Brinkman equations 178
Darcys law interface 169
Ohms law 244
free and porous media flow 184
Ohnesorge number 35
laminar two-phase flow, moving mesh
open boundary (node)
124
single-phase flow 75
slip flow 198
transport of diluted species 224
tpf interfaces 115
outflow (node)
point source
transport of diluted species 220
fluid flow 100
outlet (node) 174
species transport 240
single-phase flow 73
pointwise mass flux, theory 96
outlet boundary condition, theory 93
porous electrode coupling (node) 226
P
packed bed reactors 253
porous matrix properties (node) 186
pair nodes
porous media and subsurface flow
Brinkman equations 178
Brinkman equations interface 176
Darcys law interface 169
Darcys law interface 168
free and porous media flow 184
free and porous media flow interface
laminar two-phase flow, moving mesh
183
124
theory, Brinkman equations 191
level set 149
theory, Darcys law 189
phase field 153
theory, free and porous media flow
slip flow 198
194
tpf interfaces 115
porous media transport properties
transport of diluted species 213
(node) 227
partially saturated porous media (node)
power law, single-phase flow theory 88
229
prescribed mesh displacement (node)
particle tracing in fluid flow 108
126
Peclet number 31
prescribed mesh velocity (node) 127
periodic condition (node) 202
pressure (node) 172
transport of diluted species 222
pressure point constraint (node) 79
periodic flow condition (node) 77
pseudo time stepping
phase field interface 152
laminar flow theory 106
theory 132, 162
settings 63
phase field model (node) 153
theory 107
physics interfaces, common settings 20
pseudoplastic fluids 88
point mass source (node)
fluid flow 79
rarefied gas flow 56
INDEX|
273
Reacting Volume 218
stabilization techniques, dimensionless
reaction coefficients (node) 227
numbers and 32
reactions (node)
standard cubic centimeters per minute
transport of diluted species 218
73
reactive pellet bed 253
standard flow rate 73
reactive pellet bed (node) 231
standard flow rate, theory 97
retardation factor 252
standard settings 20
Reynolds number definition 86
Stern layer 47
Reynolds number, dimensionless num-
Stokes equations 63
bers and 31
stratified porous media 251
Reynolds particle number 109
S
streamline diffusion
fluid flow 102
SCCM, flow rate in 73
streamline diffusion, in fluid flow 32
selecting
superficial volume average, porous me-
multiphase flow interfaces 38
dia 192
porous media flow interfaces 40
superficial volume averages, porous me-
single-phase flow interfaces 37
dia 247
SEMI standard E12-0303 72
Supporting Electrolytes 243
shear rate magnitude variable 67
Surataman number 35
shear thickening fluids 88
surface equilibrium reaction (node) 226
single-phase flow interface
surface tension force variable 166
laminar flow 60
symmetric interior penalty Galerkin
theory 82
method (SIPG) 108
SIPG method 108
symmetry (node) 75, 202
sliding wall, wall boundary condition 69
Darcys law 173
theory 90
transport of diluted species 221
slip
Maxwells boundary condition 57
slip flow 57
slip flow interface 196
theory 203
slip velocity, wall boundary condition 70
theory 91
technical support, COMSOL 23
tensors
viscous stress theory 87
theory
Brinkman equations 191
Darcys law 189
slip wall (node) 201
free and porous media flow 194
slip, wall boundary condition 69
inlet and outlet boundary conditions
theory 90
274 | I N D E X
93
spatial frames 139
laminar flow 82
[Link] variable 87
level set 157
[Link] variable 67
phase field 162
single-phase flow 82
wall fluid interface (node) 130
slip flow 203
Weber number 35
tpf interfaces 132
websites, COMSOL 24
transport of diluted species in porous
wetted wall (boundary condition) 116
wetted wall (node) 156
media interface 235
transport of diluted species interface
Youngs equation 52
zero shear rate viscosity 88
235
two-phase flow moving mesh 138
thermal creep, wall boundary condition
70
thin diffusion barrier (node) 224
This Impermeable Barrier 225
TMAC, microfluidic wall conditions 188
tortuosity factors 249
traction boundary conditions 76
transport of diluted species in porous
media interface 211
theory 235
transport of diluted species interface 208
theory 235
turbulent mixing (node)
transport of diluted species 216
two-phase flow
moving mesh, theory 138
V
variables
level set interface 160
niterCMP 107
phase field interface 165
[Link] 87
viscous slip, wall boundary condition 70
viscous stress tensors, theory 87
viscous stress, theory 97
volume averages 191
volume force (node) 67
Brinkman equations 180
free and porous media flow 186
W wall (node)
single-phase flow 68
INDEX|
275
276 | I N D E X
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