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Che692 - Process Modelling and Simulation: Week 1

1. The document provides an overview of the content to be covered in CHE692 - Process Modelling and Simulation over week 1. It introduces fundamental laws of dynamic mathematical models including the Total Continuity Equation (TCE) and Component Continuity Equation (CCE). 2. An example problem is presented on writing mass balances using TCE, CCE for a mixing process with two feeds and one outlet. Diagrams and equations are provided for both constant and variable holdup cases. 3. Students are advised to always check the course announcements for assignment details and answers to questions which will be provided by the instructor.

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109 views41 pages

Che692 - Process Modelling and Simulation: Week 1

1. The document provides an overview of the content to be covered in CHE692 - Process Modelling and Simulation over week 1. It introduces fundamental laws of dynamic mathematical models including the Total Continuity Equation (TCE) and Component Continuity Equation (CCE). 2. An example problem is presented on writing mass balances using TCE, CCE for a mixing process with two feeds and one outlet. Diagrams and equations are provided for both constant and variable holdup cases. 3. Students are advised to always check the course announcements for assignment details and answers to questions which will be provided by the instructor.

Uploaded by

leenzalal
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PPTX, PDF, TXT or read online on Scribd
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CHE692 PROCESS

MODELLING AND SIMULATION

WEEK 1

CHE692 - Course Content

IMPORTANT NOTICE 1

IMPORTANT NOTICE 2

IMPORTANT NOTICE 3

IMPORTANT NOTICE 4

ALWAYS check your i-learn


Announcements will be made from
time to time for:
1) Assignment and tests
2) Answers for the GNF2F questions
to be sent to my padlet*: Look for the
due date
*The link will be given together with
the instructions.

WEEK 1 We will be
covering:

1.0 Introduction to Process Dynamics


CLO1 Understand the importance of process dynamics to
industrial applications.
CLO2 Explain the categories of applications of process
modelling techniques to various stages of design.

2.0 Fundamental Laws of Dynamic Mathematical


Models
CLO1 Recall the difference between Total Continuity
Equation (TCE) and Component Continuity Equation
(CCE).
CLO2 Apply TCE & CCE on mass balance of simple
chemical process.
CLO3 Apply TCE & CCE on mass balance for constant and
variable holdups and
CLO4 Apply product rules to simplify developed equations.

CHAPTER 1

Introduction to Process Dynamics


1.1 Use of Mathematical Modelling for
various purposes.
1.2 Principles of formulation

1.1 Use of Mathematical


Models

Mathematical models are useful in


chemical engineering in the following
areas:
A) Research and development
B) Design stage
C) Plant operations, and
C) Business in economic studies

A. Research and
development

Determining chemical kinetics


mechanisms and parameters from
laboratory and/or pilot plant reaction
data.
Exploring the effects of different
operating conditions for optimization
and control studies.
Aiding in scale-up calculations.

B. Design stage

Exploration the sizing and


arrangement of processing
equipment for dynamics
performance.
The study of interactions of various
parts of the process, particularly
when the materials recycle or heat
integration is used.
Evaluation of alternative process and
control structures and strategies.
Simulating start-up, shutdown and

C. Plant operation

Troubleshooting control and


processing problems.
Aiding in start-up and operator
training.
Studying the effects of and the
requirements for expansion of
projects
Optimizing plant operation

1.2 Principles of Formulation

Basis
The bases for mathematical models are
the fundamental physics and chemical
laws such as laws of conservation of
mass, energy and momentum.

Assumptions
Types of valid assumptions that can be
made of a process difficult task.
Too details : results in a tedious model and
take a long time to solve.

Mathematical consistency of Model


Number of variables equals the number
of equations
DOF must be zero to obtain a solution

Solution of the model equations


Available solution techniques and tools
must be kept in mind as a mathematical
model is developed

Verification
Important part but often being
neglected: proving the model describes
the real world.
Design stage this cannot be done but
usually data from pilot plant or similar
plant study could be used.

Conclusion

It is usually cheaper, safer and faster


to conduct the studies on a
mathematical model rather than
experimentally on an operating unit.

CHAPTER 2

Fundamental Laws of Process


Dynamics
2.1 Difference between TCE & CCE
2.2 Apply TCE & CCE on simple mass
balance
2.3 TCE & CCE constant & variable
holdup
2.4 Product rules to simplify developed
equations

Review of Fundamental Laws of Process


Dynamics
(A) Continuity Equation*

Total Continuity Equation (TCE)


Component Continuity Equation (CCE)

(B) Energy Equation*


(C) Momentum and Equation of Motion*
(D) Other Laws: Transport equations,
chemical Kinetics equations, phases
equations
*Macroscopic and microscopic systems will
be applied

(A) Continuity Equation


(Macroscopic)

Total Continuity Equation (TCE)


The principle of the conservation of mass
when applied to a dynamic system:

Only one TCE can be written for one


system
Unit: mass/time

(A) Continuity Equation


(Macroscopic)

Component Continuity Equation (CCE)


The principle of the conservation of mass
or moles of a specific compound when
applied to a dynamic system:

Unit: mass/time or moles/time

Example 2.1: Page 18

Xx

Nomenclatures with units:


Assumptions:

TCE:

CCE:

Example 2.1(A): CASE 1

Example on mixing process of


component A and component B. Two
feeds and one outlet. Both feeds
contain A and B. Unit for CA and CB are
(kg/m3).
Do dynamic balances (mass/time)
using:
(1) TCE, (2) CCE on A and B, (3) dCA/dt only

Nomenclatures with units:


Assumptions used:

The diagram:

TCE (kg/s):

CCE on A (kg/s)

CCE on B (kg/s):

CCE of A (kg/m3.s) use product rule:

For constant holdup V = constant,


CCE on A:

For variable holdup V is not constant,


CCE on A:

Example 2.1(A): CASE 2

Example on mixing process of


component A and component B. Two
feeds and one outlet. Both feeds
contain A and B. xA and xB are mass
fractions.
Do dynamic balances (mass/time)
using:
(1) TCE, (2) CCE on A and B, (3) dxA/dt only

Nomenclatures with units:


Assumptions used:

The diagram:

TCE (kg/s):

CCE on A (kg/s)

CCE on B (kg/s):

CCE of A (kg/m3.s) use product rule:

For constant holdup V = constant,


CCE on A:

For variable holdup V is not constant,


CCE on A:

END OF LECTURE

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