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CN3421 Lecture Note 1 - Introduction

This document provides an overview of the CN3421 Process Modeling and Numerical Simulation course. It includes information about the lecturers, schedules, expected learning outcomes, evaluation criteria, textbook, and examples of modeling techniques. The key points are: 1) The course will cover numerical methods for solving systems of equations, optimization problems, differential equations, and more. 2) It is taught in two parts by A/P Yang Kun-Lin and Dr. David Leong and includes homework, a midterm test, and a final exam. 3) Students will learn how to mathematically model and solve problems in chemical engineering processes using numerical techniques.

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Kiang Teng Lim
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208 views20 pages

CN3421 Lecture Note 1 - Introduction

This document provides an overview of the CN3421 Process Modeling and Numerical Simulation course. It includes information about the lecturers, schedules, expected learning outcomes, evaluation criteria, textbook, and examples of modeling techniques. The key points are: 1) The course will cover numerical methods for solving systems of equations, optimization problems, differential equations, and more. 2) It is taught in two parts by A/P Yang Kun-Lin and Dr. David Leong and includes homework, a midterm test, and a final exam. 3) Students will learn how to mathematically model and solve problems in chemical engineering processes using numerical techniques.

Uploaded by

Kiang Teng Lim
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as PPT, PDF, TXT or read online on Scribd
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CN3421 Process Modeling and

Numerical Simulation
A/P Yang Kun-Lin

Lecturers
A/P Yang Kun-Lin
A/P Yang will cover Numerical Analysis
Dr. David Leong
Dr David Leong cover Statistics

Schedules
Part I: A/P Yang Kun-Lin
Office: E5-03-07
Phone: 6516-6614
Email: cheyk@nus.edu.sg
There will be a mid-term test (open book)
Part II: Dr. David Leong

Expected Learning Outcomes


You should know how to
Solve systems of linear algebraic equations
Solve non-linear algebraic equations with numerical
methods
Perform numerical integration and differentiation
Solve ordinary differential equations and partial
differential equations by using numerical methods.

Course Evaluation
Numerical Analysis

65%

Statistics

35%

Total

100%

Homework Assignments

5%

Mid-term test

25%

Final Exam

35%

Textbook
Mathematical Methods in Chemical &
Environmental Engineering
By: Ajay K. Ray and Santosh K. Gupta

Available in the co-op bookstore (~$50)

Introduction
Problem Solving in Chemical Engineering:
Experiments
Mathematical models
Mass balance
Energy balance
Transport equations

1. Exact solution
2. Analytical solution
3. Numerical solution

Your First Day at Work


F2,T2 (100oC)
100 wt% water

F1,T1
100 kg/h, 25oC
2 wt% NaCl
98 wt% water

Q Heating coil

F3,T3 (100oC)
30 wt% NaCl
70 wt% water

Can you select a heating coil to meet these requirements?

Experimental
Pros:
Very reliable
Cons:
Expensive
Time consuming
Problem of scale-up

F2

Modeling
Mass balance

F1 F2 F3
0.02 F1 0.3F3

Energy balance

F1H1 Q F2 H 2 F3 H 3

Solving Equations
Mass balance

100 F2 F3
2 0.3F3
Energy balance

6 unknowns F2, F3, H1, H2 H3, and Q


3 equations
Is there any solution? Is it unique?

100 H1 Q F2 H 2 F3 H 3

100 F2 F3
2 0.3F3

2 F2 9 F3 15 Q

3 unknowns, F2, F3, and Q


3 equations
Is there any solution? Is it unique?

Modeling

Pros:
Low cost
Speed
Complete information
Easy to simulate extreme conditions
Ability to scale up
Cons:
Many parameters are unavailable, still need
experiments
Is it realistic?

More Examples on Process


Modeling and Problem Solving

Example 1: Linear Algebraic Equations


A simple process flow sheet
F5

F2

F1

F3

F8
Separator

mixer
F6

F4

F7

F9

Mass Balance
At steady state, assume constant density
5 equations and 9 unknowns

F1+F2 = F3
F4+F5 = F3

F5

F2

F6+F7 = F4
F2+F8 = F5

F1

F6+F8 = F9
4 variables must be measured

F3

F8
Separator

mixer
F6

F4

F7

Any variables?

F9

Example 2: Roots of Polynomials


R = 3 m, V = 30 m3

Water tank

V r 2 dh R 2 R h dh

3R h

28.65 9h 2 h 3

How to solve this equation?

Example 3: Numerical Integration


-10oC
Frozen beef

20oC
1 kg

T, oC

c, cal / (g oC)

-10

0.11904

-5

0.12486

0.13200

0.14046

10

0.15024

15

0.16134

20

0.17376

How much heat is required to raise


the temperature?
H mcT
dH mc T dT

dH m c T dT
Numerical integration
Alternatively, we can use linear
regression to obtain:

c T a bT cT 2 dT 3

Example 4: Ordinary Differential Equations


A
Batch reactor

k1

k2

dC A
k1C A
dt

C A ( 0) 1

dC B
k1C A k 2C B
dt

dCc
k 2C B
dt

C B (0) 0

CC (0) 0

These ordinary differential equations (ODEs) can be solved sequentially

Example 5: System of ODEs


A

k1
k2

Batch reactor

k3

first-order reaction

k4
dC A
k1C A k 2C B
dt
dC B
k1C A k 2C B k3C B k 4Cc
dt

dCc
k 3C B k 4 C C
dt

These ODEs are coupled together

CA
C C B
CC
dC B
k1C A k 2C B k3C B k 4Cc
dt
dC A
k1C A k 2C B
dt

dCc
k 3 C B k 4 CC
dt

k1
dC
k1
dt
0

k2
k 2 k3
k3

0
k 4 C
k 4

This can be solved analytically

If one of the reaction is second-order


dC A
2
2
k1C A k 2C B
dt
dC B
2
2
2
2
k1C A k 2C B k3C B k 4Cc
dt

dCc
2
2
k 3C B k 4 C C
dt

This nonlinear system of ODE


can only be solve numerically

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