Introduction to Chemical Engineering Computing - B. Finlayson (Wiley, 2006) WW.pdf - engineering - forestek1

INTRODUCTION TO

CHEMICAL ENGINEERING

COMPUTING

BRUCE A. FINLAYSON, P H .D.

University of Washington

Seattle, Washington

A JOHN WILEY & SONS, INC., PUBLICATION

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Library of Congress Cataloging-in-Publication Data:

Finlayson, Bruce A.

Introduction to chemical engineering computing / Bruce A. Finlayson.

p. cm.

Includes index.

ISBN-13: 978-0-471-74062-9 (cloth)

ISBN-10: 0-471-74062-4 (cloth)

1. Chemical engineering- -Data processing. I. Title.

TP184.F56 2005

660 0 .0285- -dc22

2005019351

Printed in the United States of America

10987654321

CONTENTS

Preface

xiii

1 Introduction

Organization, 2

Algebraic Equations, 2

Process Simulation, 2

Differential Equations, 3

Appendices, 4

2 Equations of State

Equations of State – Mathematical Formulation, 6

Solving Equations of State Using Excel (single equation in one unknown), 8

Solution Using ‘Goal Seek’, 8

Solution Using Solver, 9

Example of a Chemical Engineering Problem Solved Using ‘Goal Seek’, 9

Solving Equations of State Using MATLAB (single equation in one unknown), 10

Example of a Chemical Engineering Problem Solved Using MATLAB, 12

Another Example of a Chemical Engineering Problem Solved Using

MATLAB, 13

Equations of State with Aspen Plus, 16

Example, 16

Speciﬁc Volume of a Mixture, 18

Chapter Summary, 22

Problems, 22

3 Vapor–Liquid Equilibrium

Flash and Phase Separation, 25

CONTENTS

Isothermal Flash – Development of Equations, 26

Example Using Excel, 28

Thermodynamic Parameters, 29

Example Using MATLAB, 30

Example Using Aspen Plus, 31

Nonideal Liquids – Test of Thermodynamic Model, 35

Chapter Summary, 37

Problems, 37

4 Chemical Reaction Equilibrium

Chemical Equilibrium Expression, 42

Example of Hydrogen for Fuel Cells, 43

Solution Using Excel, 44

Solution Using MATLAB w , 45

Chemical Equilibria with Two or More Equations, 47

Multiple Equations, Few Unknowns Using MATLAB, 48

Method 1 Using the ‘fsolve’ Command, 48

Method 2 Using the ‘fminsearch’ Function, 49

Variations in MATLAB, 50

Chemical Equilibria Using Aspen Plus, 52

Chapter Summary, 52

Problems, 52

5 Mass Balances With Recycle Streams

Mathematical Formulation, 56

Example Without Recycle, 58

Example With Recycle; Comparison of Sequential and Simultaneous Solution

Methods, 60

Example of Process Simulation Using Excel for Simple Mass Balances, 62

Example of Process Simulation With Excel Including Chemical Reaction

Equilibrium, 63

Example of Process Simulation With Excel Including Phase Equilibrium, 63

Did Iterations Converge?, 66

Extensions, 66

Chapter Summary, 66

Class Exercises, 67

Class Discussion, 67

Problems, 67

6 Simulation of Mass Transfer Equipment

Thermodynamics, 74

Example: Multicomponent Distillation With Shortcut Methods, 75

Mathematical Development, 77

Multicomponent Distillation With Rigorous Plate-to-Plate Methods, 80

Example: Packed Bed Absorption, 82

Example: Gas Plant Production Separation, 85

Chapter Summary, 87

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