Process simulation, optimisation

and design

P.S.O.D.
ORGANIZATION ISSUES

Process simulation, optimization

and design
Course objectives

The Model,
what is it?

A model is a representation of some aspects

of real world objects by:
other parameters easier to measure
scaled down objects
equations and numbers mathematical models

The Model,
what for?

A good model of the apparatus is needed to:

create a correct standalone apparatus design
create a correct process, consists of many
apparatus:
simulation
optimization
design

The tools...
pen and piece of paper (supported by basic
calculation hardware) usually enough for
the standalone apparatus design
even quite simple process optimization
problem needs to involve the computer to
complete the mission in reasonable time.

Ammonia synthesis plant

13 streams
8 params per stream
20 params of equip.
means 124 variables!
e.g. 39 params defined
by designer
leaves 85 equations to
solve!!!

Model,
how to use?

Manually
We need:

Knowledge about the process to create the model

Paper and pen
Log tables, slide rule, calculator
Mathematical skills

Computer supported calculation

We need:
Knowledge about the process to create the model or to use model
created by someone else,
PROGRAM
Skills in the program use

COMPUTER PROGRAM
DEFINITION
Set of instructions in a logical sequence
interpreted and executed by a computer enabling
the computer to perform a required function;
also called software. Programs are the "thought
processes" of computers, without which they
cannot operate. Programs are written in various
languages, to conform with the operating system
of particular computers.

Computer supported calculation

PROGRAM

Written by user, using programming language:

Low level (assembler)
High level (C, Pascal, Fortran, Basic)

Written by user, using common applications for

calculation
Spreadsheets (Excel, Calc)
Mathematical tools (MathCAD, MathLab, Mathematica)

Specialized software for process simulation

(AspenOne, ProSIM, ChemCAD)

MathCAD
The mathematical tool

Introduction

User interface
Writing cursor '+'
Math toolbars :
Calculator equation symbols
Graph building the charts
Matrix inserting matrix/vectors, matrices and vectoral
operation
Calculus derivatives, integrals, limits, summation, iterated
product
Symbolic
Evaluation
Boolean logical operation
Programming
Greek inserting Greek letters

Turn of the Resource center at startup

View/Preferences/Startup Options (ver. 2001)

Basic operations
Typing:
"normal" text

Forced by: [shift]+["]

Automatically: after space insertion

"variable" interpreted by program

Default

The typing modes are identified by style:

Normal Font is Arial (by default)
Variable Font is Times (by default)

Assign symbol":=" (keystrokes[:][=])

Numbers notation
Floating-point notation:
1.23104

Multiplication symbol [*]

Superscript (exponent) [^]

keystrokes : [1][.][2][3][*][1][0][^][4]

MathCAD intro

Algebraic expressions
+,-,/,*(not always needed), power [^]
Functions arguments "(...)"
Result (evaluation): [=]

Expression typing standard mathematical

notation:
2 2
3 ln 3 10.554
3

[2][/][3][+][3][^][2][][l][n][(][3][)][=]
or
[2][/][3][+][3][^][2][space bar][l][n][(][3][)][=]
To go back to basic level press spacebar or arrow right

MathCAD intro

Variables notation
Latin and Greek alphabet ( [ctrl] + [g] after
typing Latin letter)
Case sensitivity: xX
Subscripts (not vector/matrix subscripts) [.]
Prim: x`, bis: x`` etc.

MathCAD intro

Assigning values and expressions (similar to

Pascal programming language)
One value assigned to one variable:
x:=5
keystrokes: [x][:][5]
Range of arithmetic progression assigned to variable
Default step: x:=0..3 (means numbers 0, 1, 2, 3)
keystrokes [x][:][0][;][3]
Defined step: x:=0,0.2..1 (means numbers 0, 0.2, 0.4, 0.6,
0.8, 1)
keystrokes [x][:][0][,][0][.][2][;][1]

Expression to variable:
y:=2x+3
keystrokes : [y][:][2][*][x][+][3]

Variable x has to be
defined earlier

MathCAD intro
Correct

Incorrect

MathCAD intro

Edition of the expressions

To change the position of edited place press
space bar
navi arrows

Vertical line: shows

place of insertion
Horizontal: shows
range will be inserted
into function etc.

MathCAD functions

Standard functions set

Functions definition

local variables

Syntax:
FunctionName(arg1, arg2,...):= expression of arg1, arg2,....
E.g. f(x,y):=xy
keystrokes : [f][(][x][,][y][)][:][x][*][y]

Calculations with use of defined (or predefined)

functions:
Evaluation for constants
Evaluation for defined variables
Evaluation for range of constants/vectors

MathCAD functions

Function of constant (number, scalar)

MathCAD functions

Function of variable

Global variable
Local variable

MathCAD functions

Range of arithmetic sequence

MathCAD functions

2D graphs:
Function of one variable f(x)
keystrokes : [f][(][x][)][shift]+[2][x]

MathCAD functions

Graphs:
Default independent values range: -10 10
Can be edited

MathCAD functions

Graphs:
Several functions of one independent variable range: f(x), g(x)@x
keystrokes : [f][(][x][)][,] [g][(][x][)][shift]+[2][x]

MathCAD functions

Graphs:
Several functions of several different independent variable range:
f(x), g(z)@x, z
keystrokes : [f][(][x][)][,] [g][(][z][)][shift]+[2][x][,][z]

MathCAD functions

Graphs formatting:

MathCAD functions

Graphs formatting:

MathCAD functions

MathCAD functions
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