SAMARA UNIVERSITY COLLEGE OF ENGINEERING

AND TECHNOLOGY DEPARTMENT OF CHEMICAL

ENGINEERING

Computer Aided Process Design and simulation

(ChEg5192)
By: Mohammednur S.
 The objective of this course

To provide the background needed by the chemical engineers to carry
out computer-aided analyses of large-scale chemical processes.

To introduce students with process software used in process modeling
and design.

Major concern will fall on steady state processes with hands on
experiences on MATLAB, ChemCad, SUPERPRO DESIGNER and Aspen-
plus simulations.

The students will be able to use chemical engineering software to design
process and simulate with aid of computers.
Chemical Process Analysis
 What is process simulation for?
 To interpret process flow sheets, and
 To predict the performance of process.

 To perform process simulation using a process

simulator.
 Convert from a process flow sheet to a simulation flow
sheet, i.e., replace the process units with appropriate
simulation unit.

 Commercial Process Simulators (Aspen Engineering,

CHEMCAD, and Superpro designer).
 What are process flow sheets?
Process flow sheets are the language of chemical processes. They
describe an existing process or a hypothetical process in sufficient
detail to convey the essential features.
A collection of icons to represent process and arcs to represent
the flow of material to and from the units. It emphasizes material
and energy flow.
 What is a simulation flow sheet?
A simulation flow sheet is a collection of simulation units to
represent computer program (subroutines or models) that
simulate the process units and arcs to represent the flow
information among the simulation units.
 Process Modeling and Simulation
 Translating the description of a physical system into an
appropriate mathematical form and Implementing a
suitable computational technique in the form of a
computer program.
Flow chart of steps in simulation
Process Simulation Techniques

1. Sequential Modular Approach

2. Equation Oriented Approach
3. Simultaneous Modular Approach
Sequential Modular Approach

1. Acyclic process – w/o recycles

-Processes are solved sequentially one
module at a time.
2. Cyclic process – with recycles
-need to cut streams to enable the
procedure.
Simulation of an Acyclic Process for separation of ammonia
and water (I)
Simulation of an cyclic Process for production of Ethyl
chloride flow sheet(II)
Equation Oriented Approach
All the equations of the whole process are collected and
solved as a large system of nonlinear algebraic equations.
• Mathematically, the problem is formulated
as an optimization problem, i.e.,
 simultaneous modular Approach
Steps of simultaneous modular Approach
1. For the first iteration, make initial estimates of
recycle stream values.

2. Solve the problem using the sequential modular

approach.

3. Having obtained the first estimate of input and

output values for each unit, construct a linear
relationship between them, i.e., linearize the
model equations.
4. Since the interconnection equations are
already linear, solve the whole system of model
and interconnection equations simultaneously
using matrix method to obtain a new set of inlet
values.

5. If two successive iterates of assumed stream

values converge within a preset tolerance, the
simulation is complete. Otherwise, go back to
step (2).
The scope of a process simulator

1. Prepare process designs

2. Analyze design alternatives
3. Predict the effects of changes on plant operating
conditions
4. Optimize energy consumption
5. Eliminate bottlenecks /narrow section/ and
increase throughput
Running a Simulator

1. Setting up a problem
2. Creating a flow sheet
3. Specifying engineering data
4. Performing the simulation
5. Viewing and printing results
 Process Simulation with ChemCad
ChemCad Simulation Procedures
1. Draw flow sheet,
2. Choose components,
3. Choose thermodynamic model,
4. Define feed streams,
5. Provide equipment parameters,
6. Run the program, and
7. View, plot and output the reports and PFD.
Typical Process Modules

1. MIX - Mix several inlet streams adiabatically to form one

product stream.
2. SPLIT – Split a single inlet stream into two or more product
streams with the same composition and temperature.
3. COMPRESS – Raise the pressure of a gas by a specific
amount.
4. PUMP - Raise the pressure of a liquid by a specific amount.
5. FLASH – Convert a liquid stream at one pressure to liquid
and vapor streams in equilibrium at low pressure.
6. REACT – Simulate a chemical reactor.
7. DISTILL, EXTRACT, CRYSTAL, ABSORB – Simulate the
separation processes of distillation, extraction, crystallization,
and absorption, respectively.