Process simulation, optimisation and design

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Process simulation, optimisation and design
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P.S.O.D.

• ORGANIZATION ISSUES

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Course scope

• Introduction
• MathCAD
• Introduction to CAPE
• Simple simulation of heat exchange process using
  common software
• ChemCAD (by dr Robert Kubica)

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Process simulation, optimisation and design

• Course objectives

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• Provide the students with
• using specialized software for mathematical
  problems solution
• clear understanding of what is a process
  simulation, a process optimization and process
  design
• using commonly available software to solve
  simulation problems
• using specialized software for steady state
  process simulation
• using specialized software for dynamic process
  simulation

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Lectures are available on the web address

• www.chemia.polsl.pl/jkocurek/Studenci.html

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Introduction
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All the issues related to simulation requires....
THE MODEL
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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

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The Model, what for?

• A good model of the apparatus is needed to
• create a correct apparatus design
• create a correct process
• simulation
• optimization
• design
• apparatus design can be done with pen and piece
  of paper but even quite simple process
  optimization problem needs to involve the
  computer to complete the mission in reasonable
  time.

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Model, how to calculate?

• 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 how to use model created by someone else,
• PROGRAM
• Skill of how to use a program

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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.

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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 modeling and process
  simulation (AspenOne, ProSIM, ChemCAD)

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MathCAD

• The mathematical tool

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Introduction

• User interface
• Writing cursor ''
• Toolbars
• Calculator equation symbols
• Graph building the charts
• Matrix inserting matrix/vectors, matrics
  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

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• 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)

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• Numbers notation
• Floating-point notation 1.23104

Multiplication symbol
Superscript (exponent)
keystrokes 1.23104
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MathCAD intro

• Algebraic expressions
• ,-,/,(not always needed), power
• Functions arguments "(...)"
• Result (evaluation)
• Expression typing standard mathematical
  notation

2/332?ln(3)
or
2/332space barln(3)
To go back to basic level press spacebar or right
arrow
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MathCAD intro

• Variables notation
• Latin and Greek alphabet ( ctrl g after
  typing Latin letter)
• Case sensitivity x?X
• Subscripts (not vector/matrix subscripts) .
• Prim x, bis x etc.

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MathCAD intro

• Assigning values and expressions (Pascal
  programming language like)
• One value assigned to one variable x5keyst
  rokes x5
• Range of arithmetic progression assigned to
  variable
• Default step x0..3 (means numbers 0, 1, 2, 3)
  keystrokes x03
• Defined step x0,0.2..1 (means numbers 0, 0.2,
  0.4, 0.6, 0.8, 1) keystrokes x0,0.
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• Expression to variabley2x3 keystrokes
  y2x3

Variable x has to be defined earlier
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MathCAD intro
Correct
Incorrect
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MathCAD intro

• The expressions edition
• To change the position of edited place press
  space bar

Vertical line shows place of insertion of a
sign Horizontal shows range will be inserted
into function etc.
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MathCAD functions

• Standard functions set
• Functions definition
• SyntaxFunctionName(arg1, arg2,...) expression
• E.g. f(x,y)xy keystrokes f(xy)
  xy
• Calculations with use of defined (or predefined)
  functions
• Evaluation for constants
• Evaluation for defined variables
• Evaluation for range of constants (vectors)

local variables
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MathCAD functions

• Function of constant (scalar)

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MathCAD functions

• Function of variable

Global variable
Local variable
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MathCAD functions

• Range of arithmetic sequence

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MathCAD functions

• 2D graphs
• Function of one variable f(x) keystrokes
  f(x)shift2x

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MathCAD functions

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

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MathCAD functions

• Graphs
• Several functions of one independent variable
  range f(x), g(x)_at_x keystrokes f(x),
  g(x)shift2x

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MathCAD functions

• Graphs
• Several functions of several different
  independent variable range f(x), g(z)_at_x, z
  keystrokes f(x), g(z)shift
  2x,z

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MathCAD functions

• Graphs formatting

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MathCAD functions

• Graphs formatting

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MathCAD functions
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MathCAD functions
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