Computer Aided Process Engineering

Course Objectives
Provide the student with a clear
understanding of what is process
simulation & process optimization and
how these can be employed to solve
practical problems commonly
encountered in process engineering.
Use of computer aided tools will play an
important role
Computer Aided Process Engineering - Lecture 1 (R. Gani) 2
Computer Aided Process Engineering
Lecture notes and reading material
* A lecture note covering all the lectures has been
prepared (see course home-page)
* Supplementary text-books are listed
* A course home-page has been created
* All lecture and tutorial material can be
downloaded from the home-page
http://www.capec.kt.dtu.dk/Courses/MSc-level-Courses/
Computer Aided Process Engineering - Lecture 1 (R. Gani) 3
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
Computer Aided Process Engineering - Lecture 1 (R. Gani) 4
What is a Process Simulator?
An Engineering Tool which performs,
* Automated calculations
* Material and/or energy balances
* Physical property estimations
* Design/rating calculations
* Process optimization
It is not a Process Engineer !
Computer Aided Process Engineering - Lecture 1 (R. Gani) 5
Design & analysis through process
simulation/optimization
Divider
Mixer Reactor Separator
A chemical plant is our real world
Computer Aided Process Engineering - Lecture 1 (R. Gani) 6
Separator
Define
Problem
Analyze
results
Develop
process
model
Collect
additional
data
Solve model
equations
Main steps in process simulation
Divider
Mixer Reactor
Chemical Plant
Computer Aided Process Engineering - Lecture 1 (R. Gani) 7
Separator
Define
Problem
Analyze
results
Develop
process
model
Collect
additional
data
Solve model
equations -
AE solver
Steady state simulation - solve algebraic equations
h(x, y) = 0
Divider
Mixer Reactor
Chemical Plant
Computer Aided Process Engineering - Lecture 1 (R. Gani) 8
Separator
Define
Problem
Analyze
results
Develop
process
model
Collect
additional
data
Solve model
equations -AE
solver + NLP
method
Process optimization - minimize function s.t. constraints
h(x, y) = 0
Min (x, y)
s.t g(x, y) 0
h1 (x,y) = 0
Divider
Mixer Reactor
Chemical Plant
Computer Aided Process Engineering - Lecture 1 (R. Gani) 9
Separator
Define
Problem
Analyze
results
Develop
process
model
Collect
additional
data
Solve model
equations -
DAE solver
Dynamic simulation - solve ordinary differential equations
h(x, y) = 0
dx/dt = f(x,y)
Divider
Mixer Reactor
Chemical Plant
Computer Aided Process Engineering - Lecture 1 (R. Gani) 10
Problem Definition -
What information do we need?
Divider
Mixer Reactor
Separator
Known
data
Stream
data
Equipment
data
Operating
data
Chemical Plant
Unit
operations
Mixture
compounds
Process
flowsheet
Computer Aided Process Engineering - Lecture 1 (R. Gani) 11
Problem Definition -
What do we need to select (from a simulator)?
Divider
Mixer Reactor
Separator
Library
Unit
models
Thermo-
models
Method of
solution
Chemical Plant
Unit
operations
Mixture
compounds
Process
flowsheet
Computer Aided Process Engineering - Lecture 1 (R. Gani) 12
Some Definitions
Unit 1 Unit 2 Unit 3 Unit 4 Unit 5
Module; Stream; Flowsheet decomposition;
Partitions;Recycle loop; Tear stream;
Calculation sequence; Simulation approach;
Convergence technique
(see chapter 8 lecture notes - for definitions)