Prof. Dr.
Marwan Batiha األستاذ الدكتور مروان بطيحة
Department of Chemical Engineering
Faculty of Engineering
Al-Hussein Bin Talal University
Email: mmbatiha@[Link]
mmbatiha@[Link]
Office hours:
Monday and Wednesday (0230 PM – 0330 PM)
Methods of Assessment:
30%: Midterm Exam
20%: Quizzes, homework, and attendance.
50%: Final Exam
Chemical Engineering Dynamics: An W.L. Luyben, Process Modeling,
Introduction to Modeling and Simulation and Control for Chemical
Simulation. Third edition, by Ingham Engineers, McGraw-Hill, 1990.
and others, Wiley – VCH, 2007. .
D. E. Seborg., T. F. Edgar and D. E. Modeling and Simulation of Chemical
Mellichamp, Process Dynamics and Process Systems By Nayef Ghasem. First
Control, 2nd edition, Wiley, New Edition. 2018
York, 2004.
Course Objectives
The aim of this course is to teach the use of modeling
and simulation as a discipline for the
understanding of chemical engineering processes
and their dynamics. This is done via a combination
of basic modeling theory and computer
simulation examples.
The examples are based on the use of a powerful and
easy – to – use simulation languages, BERKELEY –
MADONNA, MATLAB SIMULINK and Aspen HYSYS
which represent almost all we have ever wanted
in simulation software for teaching.
Course Description
Weak Topics
1 Introduction.
Fundamental Laws: Material Balances; Energy Balances; Momentum
2-4
Balances.
Basic Concepts of Chemical Process Modeling: Chemical Kinetics;
Heat of Reaction; Mass transfer Theory; Dimensionless Model
5-7
Equations; Process Dynamics; Fundamentals of Automatic Control;
Degrees of Freedom Analysis.
8-9 Process Simulation Using the MADONNA Language.
10-11 Modelling & Simulation of Stirred-Tank Reactors Using MADONNA.
12 MATLAB SIMULINK for Process Control.
Modeling and Simulation Case Studies: Material Balance Without
13
Reactions. Material Balance for Chemical Reactors. Energy Balance.
14-16 Aspen HYSYS: An Introduction to Chemical Engineering Simulation
Introduction
Background.
Mathematical Modeling.
The modeling process.
Types of Process Models.
Uses of Mathematical Models.
Principles of Formulation.
Prof. Dr. Marwan Batiha
Department of Chemical Engineering
Faculty of Engineering
Al-Hussein Bin Talal University
Email: mmbatiha@[Link]
Introduction
Process Modeling is essentially an exercise that involves relating
together the properties of a system influenced by a process. The
outcome is a set of mathematical equations, which is a process
model.
Mathematical modeling is very much an art. It takes experience,
practice, and brain power to be a good mathematical modeler.
You will see a few models developed in this course. You should be
able to apply the same approaches to your own process when the
need arises.
Just remember to always go back to basics : mass, energy, and
momentum balances applied in their time-varying form.
Introduction
Process Simulation is the evaluation of the systems performance
using a computer model.
Simulation methods determine the process unknowns by solving
mathematical equations, which constitute process models.
The methods are of two types, analytical and numerical.
Analytical methods determine the unknowns explicitly as
analytical functions in terms of process parameters and variables.
These methods involve straightforward manipulation of algebraic
equations, analytical differentiation, and analytical integration to
extricate the unknowns as analytical functions.
However, only simple process models are amenable to analytical
methods. Most process models are sophisticated, and can only be
solved by numerical methods. These methods determine the
process unknowns directly in terms of numerical values.
The modeling process
The modeling process
The process of building a dynamic model can be summarized
as follows:
1. Specify the objectives of the mathematical models.
2. Develop the mathematical model of the process system.
- Clearly state all the assumptions used in the developed mathematical
model.
- A partial differential equation will be required to describe the model if
there are spatial variations of the process variables.
- Write the appropriate mass, energy, and component conservation
equations.
- Include all required relations from transport phenomena, equipment
geometry, reaction rate and thermodynamic relations.
3. Make sure that the model equations can be solved by performing a
degree of freedom analysis.
4. Organize the equations to show clearly the independent and dependent
variables.
5. Categorize inlet parameters as manipulated or disturbance variables.
Types of Process Models
Process models can be categorized based on the process being
represented.
A steady state model represents a steady state process and has no time
derivatives. An unsteady state model represents an unsteady process and
involves one or more-time derivatives.
Based on the nature of system properties, a process model may be a lumped-
parameter model or distributed-parameter model. The former involves uniform
properties while the latter has at least one property that varies with space.
Based on the type of equations involved, process models are also classified into
algebraic, differential, or differential-algebraic models. Moreover, if all
involved equations are linear then the process model is called linear. Otherwise,
the model is called non-linear.
Variables and Parameters
A variable is any property that could vary with time during the execution of a
process in a system. On the other hand, a parameter is a property that is fixed
or specified.
Uses of Mathematical Models
Mathematical models can be useful in all phases of chemical
engineering, from research and development to plant
operations, and even in business and economic studies.
1. Research and development:
Determining chemical kinetic mechanisms and parameters from laboratory or
pilot-plant reaction data.
Exploring the effects of different operating conditions for optimization and control
studies;
Aiding in scale-up calculations.
2. Design:
Exploring the sizing and arrangement of processing equipment for dynamic
performance;
Studying the interactions of various parts of the process, particularly when
material recycle or heat integration is used;
Evaluating alternative process and control structures and strategies;
Simulating start-up, shutdown, and emergency situations and procedures.
3. Plant operation:
Troubleshooting control and processing problems;
Aiding in start-up and operator training; studying the effects of and
the requirements for expansion (bottleneck-removal) projects;
Optimizing plant operation.
It is usually much cheaper, safer, and faster to conduct the kinds of studies
listed above on a mathematical model than experimentally on an operating
unit.
This is not to say that plant tests are not needed. They are a vital part of
confirming the validity of the model and of verifying important ideas and
recommendations that evolve from the model studies.
Scope of Coverage
We will discuss in this course only deterministic systems that can be described
by ordinary or partial differential equations. Most of the emphasis will be on
lumped systems (with one independent variable, time, described by ordinary
differential equations).
Principles of Formulation
A. BASIS. The bases for mathematical models are the fundamental physical and
chemical laws, such as the laws of conservation of mass, energy, and
momentum. To study dynamics we will use them in their general form with
time derivatives included.
B. ASSUMPTIONS. Probably the most vital role that the engineer plays in
modeling is in exercising his engineering judgment as to what assumptions can
be validly made. Obviously an extremely rigorous model that includes every
phenomenon would be so complex that it would take a long time to develop
and might be impractical to solve, even on the latest supercomputers.
C. MATHEMATICAL CONSISTENCY OF MODEL. Degrees of Freedom of the
system must be zero in order to obtain a solution; i.e. the number of
variables equals the number of equations.
The units of all terms in all equations must be consistent. Be particularly
careful of the time units of parameters in dynamic models. Any units can be
used (seconds, minutes, hours, etc.), but they cannot be mixed.
Principles of Formulation
D. SOLUTION OF THE MODEL EQUATIONS. We can use different simulation
languages such as: MATLAB, POLYMATH and BERKELEY – MADONNA which
represents almost all we have ever wanted in simulation software for teaching.
E. VERIFICATION. An important but often neglected part of developing a
mathematical model is proving that the model describes the real-world
situation. At the design stage this sometimes cannot be done because the plant
has not yet been built. However, even in this situation there are usually either
similar existing plants or a pilot plant from which some experimental dynamic
data can be obtained.
The design of experiments to test the validity of a dynamic model can
sometimes be a real challenge and should be carefully thought out.