Introduction to Chemical Engineering Computing E-Book

Bruce A. Finlayson

• Herausgeber: John Wiley & Sons
• Kategorie: Fachliteratur
• Sprache: Englisch

Seitenzahl: 617

Veröffentlichungsjahr: 2014

Beschreibung

Step-by-step instructions enable chemical engineers to master key software programs and solve complex problems

Today, both students and professionals in chemical engineering must solve increasingly complex problems dealing with refineries, fuel cells, microreactors, and pharmaceutical plants, to name a few. With this book as their guide, readers learn to solve these problems using their computers and Excel, MATLAB, Aspen Plus, and COMSOL Multiphysics. Moreover, they learn how to check their solutions and validate their results to make sure they have solved the problems correctly.

Now in its Second Edition, Introduction to Chemical Engineering Computing is based on the author’s firsthand teaching experience. As a result, the emphasis is on problem solving. Simple introductions help readers become conversant with each program and then tackle a broad range of problems in chemical engineering, including:

• Equations of state
• Chemical reaction equilibria
• Mass balances with recycle streams
• Thermodynamics and simulation of mass transfer equipment
• Process simulation
• Fluid flow in two and three dimensions

All the chapters contain clear instructions, figures, and examples to guide readers through all the programs and types of chemical engineering problems. Problems at the end of each chapter, ranging from simple to difficult, allow readers to gradually build their skills, whether they solve the problems themselves or in teams. In addition, the book’s accompanying website lists the core principles learned from each problem, both from a chemical engineering and a computational perspective.

Covering a broad range of disciplines and problems within chemical engineering, Introduction to Chemical Engineering Computing is recommended for both undergraduate and graduate students as well as practicing engineers who want to know how to choose the right computer software program and tackle almost any chemical engineering problem.

Leseprobe

INTRODUCTION TO CHEMICAL ENGINEERING COMPUTING

Second Edition

BRUCE A. FINLAYSON

Rehnberg Professor Emeritus of Chemical Engineering Department of Chemical Engineering University of Washington Seattle, WA

Using the latest user interface with Aspen Plus 8.0

Copyright © 2014 by John Wiley & Sons, Inc. All rights reserved

Published by John Wiley & Sons, Inc., Hoboken, New Jersey Published simultaneously in Canada

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Library of Congress Cataloging-in-Publication Data:

Finlayson, Bruce A.     Introduction to chemical engineering computing / Bruce A. Finlayson. – 2nd ed.         p. cm.     Includes index.     ISBN 978-1-118-88831-5 (pbk.)   1. Chemical engineering–Data processing. I. Title.     TP184.F56 2012     660.0285–dc23

2011045242

MATLAB® is a trademark of The Math Works, Inc., and is used with permission. The Math Works does not warrant the accuracy of the text or exercises in this book. This book’s use or discussion of MATLAB software or related products does not constitute endorsement or sponsorship by The Math Works of a particular pedagogical approach or particular use of the MATLAB software.

Comsol Multiphysics® is a trademark of COMSOL AB. COMSOL product screen shots reprinted with permission from COMSOL AB.

© 2011 Aspen Technology, Inc. AspenTech®, aspenONE®, Aspen Plus® and the Aspen leaf logo are trademarks of Aspen Technology, Inc. All rights reserved.

CONTENTS

Preface

How to Use This Book in Teaching

What is New?

Acknowledgments

1 Introduction

Organization

2 Equations of State

Equations of State—Mathematical Formulation

Solving Equations of State Using Excel (Single Equation in One Unknown)

Solving Equations of State Using MATLAB (Single Equation in One Unknown)

Equations of State with Aspen Plus

Chapter Summary

Problems

Notes

3 Vapor–Liquid Equilibria

Flash and Phase Separation

Isothermal Flash—Development of Equations

Thermodynamic Parameters

Nonideal Liquids—Test of Thermodynamic Model

NIST Thermo Data Engine in Aspen Plus

Chapter Summary

Problems

4 Chemical Reaction Equilibria

Chemical Equilibrium Expression

Chemical Reaction Equilibria with Two or More Equations

Chapter Summary

Problems

5 Mass Balances with Recycle Streams

Mathematical Formulation

Example Without Recycle

Example with Recycle; Comparison of Sequential and Simultaneous Solution Methods

Example of Process Simulation Using Excel for Simple Mass Balances

Example of Process Simulation Using Aspen Plus for Simple Mass Balances

Example of Process Simulation with Excel Including Chemical Reaction Equilibria

Chapter Summary

Class Exercises

Class Discussion (After Viewing Problem 5.10 on the Book Website)

Problems

6 Thermodynamics and Simulation of Mass Transfer Equipment

Thermodynamics

Example: Multicomponent Distillation with Shortcut Methods

Multicomponent Distillation with Rigorous Plate-to-Plate Methods

Example: Packed Bed Absorption

Example: Gas Plant Product Separation

Example: Water Gas Shift Equilibrium Reactor with Sensitivity Block and Design Specification Block

Chapter Summary

Class Exercise

Problems (using Aspen Plus)

7 Process Simulation

Model Library

Example: Ammonia Process

Convergence Hints

Optimization

Integrated Gasification Combined Cycle

Cellulose to Ethanol

Chapter Summary

Class Exercise

Problems

8 Chemical Reactors

Mathematical Formulation of Reactor Problems

Using MATLAB to Solve Ordinary Differential Equations

Using Comsol Multiphysics to Solve Ordinary Differential Equations

Reactor Problems with Mole Changes and Variable Density

Chemical Reactors with Mass Transfer Limitations

Plug Flow Chemical Reactors in Aspen Plus

Continuous Stirred Tank Reactors

Transient Continuous Stirred Tank Reactors

Chapter Summary

Problems

9 Transport Processes in One Dimension

Applications in Chemical Engineering—Mathematical Formulations

Introduction to Comsol Multiphysics

Example: Heat Transfer in a Slab

Example: Reaction and Diffusion

Example: Flow of a Newtonian Fluid in a Pipe

Example: Flow of a Non-Newtonian Fluid in a Pipe

Example: Transient Heat Transfer

Example: Linear Adsorption

Example: Chromatography

Pressure Swing Adsorption

Chapter Summary

Problems

10 Fluid Flow in Two and Three Dimensions

Mathematical Foundation of Fluid Flow

Nondimensionalization

Example: Entry Flow in a Pipe

Example: Entry Flow of a Non-Newtonian Fluid

Example: Flow in Microfluidic Devices

Example: Turbulent Flow in a Pipe

Example: Start-Up Flow in a Pipe

Example: Flow Through an Orifice

Example: Flow in a Serpentine Mixer

Microfluidics

Generation of Two-Dimensional Inlet Velocity Profiles for Three-Dimensional Simulations

Chapter Summary

Problems

Notes

11 Heat and Mass Transfer in Two and Three Dimensions

Convective Diffusion Equation

Nondimensional Equations

Example: Heat Transfer in Two Dimensions

Example: Heat Conduction with a Hole

Example: Convective Diffusion in Microfluidic Devices

Example: Concentration-Dependent Viscosity

Example: Viscous Dissipation

Example: Chemical Reaction

Example: Wall Reactions

Example: Mixing in a Serpentine Mixer

Microfluidics

Example: Convection and Diffusion in a Three-Dimensional T-Sensor

Chapter Summary

Problems

Appendix A Hints When Using Excel®

Introduction

Calculation

Plotting

Import and Export

Presentation

Notes

Appendix B Hints When Using MATLAB®

General Features

Programming Options: Input/Output, Loops, Conditional Statements, Timing, and Matrices

Finding and Fixing Errors

Eigenvalues of a Matrix

Evaluate an Integral

Spline Interpolation

Solve Algebraic Equations

Integrate Ordinary Differential Equations that are Initial Value Problems

Plotting

Other Applications

Import/Export Data

Programming Graphical User Interfaces

MATLAB Help

Applications of MATLAB

Notes

Appendix C Hints When Using Aspen Plus®

Introduction

Flowsheet

Run the Problem

Report

Advanced Features

Molecule Draw

Applications of Aspen Plus

Notes

Appendix D Hints When Using Comsol Multiphysics®

Basic Comsol Multiphysics Techniques

Specify the Problem and Parameters

Solve and Examine the Solution

Advanced Features

Applications of Comsol Multiphysics

Notes

Appendix E Mathematical Methods

Algebraic Equations

Ordinary Differential Equations as Initial Value Problems

Ordinary Differential Equations as Boundary Value Problems

Partial Differential Equations in time and One Space Dimension

Partial Differential Equations in Two Space Dimensions

Summary

Problems

References

Index

List of Tables

Chapter 1

Table 1.1

Chapter 2

Table 2.1

Table 2.2

Table 2.3

Chapter 3

Table 3.1

Table 3.2

Table 3.3

Table 3.4

Table 3.5

Table 3.6

Table 3.7

Table 3.8

Table 3.9

Table 3.10

Chapter 4

Table 4.1

Table 4.2

Table 4.3

Table 4.4

Chapter 5

Table 5.1

Table 5.2

Table 5.3

Table 5.4

Table 5.5

Chapter 6

Table 6.1

Table 6.2

Table 6.3

Table 6.4

Table 6.5

Table 6.6

Table 6.7

Table 6.8

Table 6.9

Table 6.10

Table 6.11

Chapter 7

Table 7.1

Table 7.2

Table 7.3

Table 7.4

Table 7.5

Chapter 8

Table 8.1

Chapter 10

Table 10.1

Appendix A

Table A.1

Table A.2

Appendix C

Table C.1

Appendix D

Table D.1

Appendix E

Table E.1

Table E.2

Guide

Cover

Table of Contents

Preface

Chapter

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