DWSIM Workshop

Slide 01

‫محمد فروغی دهر‬

Mfd.foroughi@ut.ac.ir

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 Introduction- Reference

• Northwestern University Chemical Process Design Open Textbook, Fenggi You, 2017,
https://processdesign.mccormick.northwestern.edu/index.php/Main_Page
• Sample flowsheets, Cape open to cape open (COCO) simulator org,
https://www.cocosimulator.org/index_sample.html
• Flowsheeting project, FOSSEE India, https://dwsim.fossee.in/flowsheeting-
project/completed-flowsheet
• ChemSep, Modeling Separation Processes, http://www.chemsep.com/book/index.html
• Process Analysis and Simulation in Chemical Engineering, I.D. Chaves, J.R. Lopez, A.L.
Robayo, G.R. Nino, Springer, 2016,
• Analysis, Synthesis, and Design of Chemical Processes, R. Turton, J.A. Shaeiwitz, D.
Bhattacharyya, Prentice-Hall, 2018
• Basic Principles and Calculations in Chemical Engineering, D.M. Himmelblaus, J.B.
Riggs, Prentice Hall, 2020

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 Introduction- Process Simulation

• Simulation Vs. Modeling:

A simulation is the process of using a model to study the behavior and
performance of an actual or theoretical system. In a simulation, models
can be used to study existing or proposed characteristics of a system.
The purpose of a simulation is to study the characteristics of a real-life
or fictional system by manipulating variables that cannot be controlled
in a real system. Simulations allow evaluating a model to optimize
system performance or to make predictions about a real system.
• What is Simulation:
Simulation is the act of representing some aspects of the real world by
numbers or symbols which may be manipulated to facilitate their study
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 Introduction- Process Simulation Software or Process Simulator

• Process simulation software is a quick, digital and general-purpose tool to

perform mass, energy and compositional balance along with properties
estimation.

• An Engineering Tool which performs:

o Automated calculations
o Material and/or energy balances
o Physical property estimations
o Design/rating calculations
o Process optimization
• It is not a Process Engineer !

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 Introduction- Process Simulation Software

• Steady state process simulators are: DWSIM, Aspen HYSYS, Aspen

Plus, Thermoflex, Honeywell Unisim, AVEVA Pro II, BRE Promax,
Chemcad, CADsim, etc.
• Dynamic process simulators are: Aspen Dynamics, CADSim, etc.
• Hydraulic Simulators: Aspen Flare System Analyzer, Termis, Krof,
Pipenet, Olga, etc.
• Validation of simulation tool based on past experience is a critical
exercise.

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Anatomy of a Typical Process Simulator

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General Simulation tips

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 Solving Material and Energy Balances using Flowsheeting Codes

Flowsheet:
The flowsheet is the key document in process design. It shows the
arrangement of the equipment selected to carry out the process, the stream
connections, stream flow rates and compositions, and the operating
conditions. It is a diagrammatic model of the process.

Flowsheeting:
Steady state process material and energy balances

Flowsheeting Package or Code:

The computer code for solving the material and energy balance Equations in
time domain or in space domain
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 Material and Energy Balance

• The general balance equation:

input– output + generation – consumption = accumulation
• Valid for Batch, Continuous and Semi batch
• The procedure for a single unit
 Define the basis
 Write the flowchart .. write all the known variables, label unknowns
 Convert all the data in consistent units
 Perform the degree of freedom analysis
 Write the equations in an efficient solver and solve the system
 Calculate the quantities requested in the problem statement
• Balances on multiple-unit processes (recycle – bypass)
• Balances on reactive processes
 Molecular or atomic species
 Extent of reaction
• Single phase and multiple phase systems

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 Simple Example: Mixing Block routine

• Two streams are mixed adiabatically

Each stream may contain any of five components (A, B, C, D, E)
No phase changes take place
The heat capacity of all components may be approximated as constants and the heat of mixing
can be neglected
Calculate the component molar flow rates and T of the product stream from specified values of
these quantities for the feed streams
• Solution:
5 + 1 (Temp) unknowns
5 material balance equations
1 energy balance DH = 0 equation
• MS Excel solution
• Fortran Code solution
• Process Simulator solution Mixer

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 Example: Cyclic Process

• Gas-phase dehydrogenation of isobutane to isobutene

Reaction: C4H10  C4H8 + H2
Pure isobutane (A) is mixed adiabatically with a recycle containing 90% mole isobutane and the
balance isobutene (B)
Single pass isobutane conversion is 35%
All hydrogen (C) and 10% of the isobutane (as well as some isobutene) is sent to another part of the
plant
Qr and Qs are the net rate of heat transfer in the reactor and separator

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 Cyclic Process – Degree of freedom analysis

• Unit operations
• Mixing point:
 4 unknowns (Na1, Nb1, N4, T1)
 3 eq. (2 mat. Ba., 1 en. Bal.)
 1 local d.o.f.
• Reactor:
 7 unknowns (Na1, Nb1, Na2, Nb2, Nc2, T1, Qr):
 4 eq. (2 atomic species balances, 1 en.bal, 1 conv. spec.)
 3 local d.g.f.
• Separator:
 8 unknowns (Na2, Nb2, Nc2, Na3, Nb3, Nc3, N4, Qs)
 5 eq. (3 mat. bal., 1 en. Bal., 1 split spec.)
 3 local d.g.f.
• Overall process
 7 local d.g.f. (1+3+3)
 7 ties (Na1, Nb1, Na2, Nb2, Nc2, N4, T1 counted twice)
 0 d.g.f.

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 Design & analysis through process simulation/optimization

• A Chemical Plant is a real world.

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Main steps in process simulation Collect additional data

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Steady state simulation - solve algebraic equations Chemical Plant

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Process optimization - minimize function s.t. constraints

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 Process optimization - minimize function s.t. constraints

• Process Design
• Process Optimization
• Research and Development
• Education

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 Steady State vs Dynamic

• Steady State Simulation • Dynamic State Simulation

• Process Design • Plant-wide Control
• System Evaluation • Commissioning
• Heat Integration • Process Optimization
• Development of Process Equipment • Operator Training
• Troubleshooting

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 Calculation in Software

Sequential Modular Simulation (SMS) Equation Oriented Simulation (EOS)

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 Calculation in Software
Sequential Modular Simulation (SMS) Equation Oriented Simulation (EOS)

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 Calculation in Software

Sequential Modular Simulation Equation Oriented Simulation

(SMS) (EOS)
Simultaneous simulation of unit Decomposition and simulation of
operational units of the process
operation
Separately Simulation of each
Simultaneous updating of unknown operational unit
parameters
No need for a lot of storage space
Requires a lot of storage space Try and Error in Tears
Suitable for dynamic simulation Convergence dependence on units
High cost of calculations and time information
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 Calculation in Software

Definition of the Problem

PFD to SFD
Preliminary analysis of the problem
Analysis of the degree of freedom of the process
Define variables Decision making
Input Data
Selection of chemical components
Selection of thermodynamic models
Definition of chemical reactions
Definition of incoming streams
Analysis of degrees of freedom of units Operational and process
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 Calculation in Software

Running the Program

Selection of the proper convergence algorithm
Evaluation of the convergence calculation and changing the algorithm if required
Results and analysis
Mass and energy balance report
Simulation report
Physical properties of materials

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 Different Process Simulation

Process Simulation
Process Design
Process Optimization
Process Creation

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 Different Process Simulation

Process Simulation
Process Design
Process Optimization
Process Creation

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