Process Simulation Programs
➢ Besides experiments and trial plants, simulation using
computer programs furnishes the process development
engineer with a very effective tool.
➢ Development of very fast, large computers & effective physical
models has now made it possible to simulate individual units.
➢ E.g. networks of units of the same type (e.g., a stirred tank
cascade, a heat exchanger network) & networks of dissimilar
units (e.g., chemical plants).
Advantages of using Process Simulation
tools in Process Development
➢ Better understanding of the process (including safety aspects)
➢ Saving time.
➢ Increasing the scale-up factor.
➢ Reducing costs due to fewer pilot plant tests.
➢ Optimization of process control.
Example of Flow Sheet with Recycling
Process Simulation Programs Types
Mathematically, process simulation can be divided into 2 large
groups:
1) Stationary Programs: more suitable for simulation of steady
state process.
2) In-stationary Programs: used for simulation of dynamics
systems.
Selected Simulation Programs for
Stationary Processes
Selected Simulation Programs for
Dynamic Systems
Stationary Process Simulation Types
There are 2 basic approaches to calculating stationary processes:
A. Sequential Modular Approach: the solution strategy of
classical calculation by hand is transferred to the flow-
sheeting program. The program treats one unit operation
after another.
B. Equation-Oriented Approach: combine the equations for
the linkage of the flow sheet and the apparatus model in a
matrix, which is then simultaneously solved.
Sequential Modular Approach
Advantages:
➢ Suit large flowsheets since blocks are calculated individually.
➢ Simulation can be understood in terms of process engineering.
➢ Start-up behavior is generally well behaved.
Disadvantages:
➢ Convergence problems in flow sheets with many recycle
streams.
➢ Incomprehensible convergence behavior in large flow sheets.
➢ Slow for flow sheets with recycle streams & complex
specifications.
Equation-Oriented Approach
Advantages:
➢ Optimum convergence in flow sheets with recycle streams
➢ Certain convergence behavior
➢ Very fast
Disadvantages:
➢ Requires large storage space
➢ Errors difficult to find
➢ No insight into the units
➢ Specification of initial values necessary
Simulation Program Components
➢ User interface.
➢ Physicochemical data model (material systems such as conventional
systems, solids, electrolytes, polymers, etc.; physicochemical data of
pure substances & mixtures; equilibrium, etc.).
➢ Unit operation model (black box models such as mixers, separators,
component splitters, etc.; models of phase separation, heat transfer
model, multistage models, pumps & compressors, reactors, etc.).
➢ General simulation functions (sequencing, tearing, adjest, feed-
forward/feedback controller, convergence, optimization, etc.).
➢ Additional programs.
Recommended Procedures
for Process Simulation
➢ Formulation of task , for example: CSTR with recycling
➢ Choice of software
➢ Choice of chemical components
➢ Choice of thermodynamic model
➢ Plotting of flow sheet
➢ Linkage of the streams & units
➢ Physicochemical data of pure substances
➢ Specification of the streams
➢ Specification of the unit operations