
Advanced
Process Simulation 
Advanced process simulation
KET021F, PhD course at
Chemical Engineering, Lund University
last time: spring 2012
Course description: Simulation of process behaviour based on mathematical models is probably the most
important general tool that is available in chemical engineering science. The
course discusses methods and techniques for the solution of typical problems in
process engineering. These are often based on differentialalgebraic equations
from lumped or distributed systems.
The course will focus on simulation of distributed systems, i.e. models
based on partial differential equations. Current techniques result in large and
very large equation systems. The course presents solvers for solution of large
linear and nonlinear algebraic equation systems and large differential equation
system. The purpose is to give the PhD students insight in the behaviour and complexity of modern PDE solvers in order to
become an advanced user of computers tools for simulation of distributed
systems, like CFD tools.
Schedule, April 1012: KET library 1
1.
10/4, 1012 Course introduction pdf,
Numerical solution of transport problems, pdf
2.
10/4,
1315 Introduction to FVM, pdf, Finite
difference approximations, Finite volume paradigm
Exercise I
HandIn of exercise I, 20/4
3.
11/4,
911 Introduction to FEM, pdf,
Methodofweightedresiduals, finite element, Galerkin
and orthogonal collocation,
Exercise II
HandIn of exercise II, 27/4
4.
11/4,
1315 Convection problems, pdf, upwind,
streamlinediffusion, TVD and flux limiters
Exercise III
HandIn of exercise III, 4/5
5.
12/4,
912 Solution of large systems,
A: dynamic and nonlinear systems, pdf, implicit ODE/DAEsolvers, Newton and
quasiNewton methods
B: linear systems, pdf, LU, sparseness, iterative methods
Exercise IV and extra exercise
V+
HandIn of exercise IV, 11/5
6.
25/5, 912, Seminar on course exercises
Tools:
The course use MATLAB and COMSOL in the exercises.
Other tools will be presented during the course, like Fluent
Some mfiles: Ex1: FVMdisc2nd,
FVMdisc1st, FVMdiscBV, FVM_Jpattern, Ex2: jacobi2,
lagrange, Ex4: jacobi, gseidel, sor
Reference literature:
Beers, Numerical Methods for Chemical Engineering, Cambridge (2007)
Majumdar, Computational Methods for Heat
and Mass Transfer, Taylor&Francis (2005)
Pepper&Heinrich, The Finite Element Method, Taylor&Francis (2006)
Examination: 3 exercise handins (+1 optional),
participation at seminar
Points: 5 hp
Contact: prof.