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INTRODUCTION TO CHEMICAL ENGINEERING COMPUTING

BRUCE A. FINLAYSON, PH.D.
University of Washington Seattle, Washington

A JOHN WILEY & SONS, INC., PUBLICATION

Microsoft product screen shots reprinted with permission from Microsoft Corporation. Microsoft Excel is either registered trademark or trademarks of Microsoft Corporation in the United States and/or other countries. MATLABw is atrademark 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 MATLABw software or related products does not constitute endorsement or sponsorship by The Math Works of a particular pedagogical approach or particular use of the MATLABw software. FEMLABw is a trademark of COMSOL AB.COMSOL product screen shots reprinted with permission from COMSOL AB. Copyright # 2006 by John Wiley & Sons, Inc. All rights reserved Published by John Wiley & Sons, Inc., Hoboken, New Jersey Published simultaneously in Canada No part of this publication may be reproduced, stored in a retrieval system, or transmitted in any form or by any means, electronic, mechanical, photocopying, recording,scanning, or otherwise, except as permitted under section 107 or 108 of the 1976 United States Copyright Act, without either the prior written permission of the Publisher, or authorization through payment of the appropriate per-copy fee to the Copyright Clearance Center, Inc., 222 Rosewood Drive, Danvers, MA 01923, (978) 750-8400, fax (978) 750-4470, or on the web at www.copyright.com. Requests to thePublisher for permission should be addressed to the Permissions Department, John Wiley & Sons, Inc., 111 River Street, Hoboken, NJ 07030, (201) 748-6011, fax (201) 748-6008, or online at http://www.wiley.com/go/permission. Limit of Liability/Disclaimer of Warranty: While the publisher and author have used their best efforts in preparing this book, they make no representations or warranties withrespect to the accuracy or completeness of the contents of this book and specifically disclaim any implied warranties of merchantability or fitness for a particular purpose. No warranty may be created or extended by sales representatives or written sales materials. The advice and strategies contained herein may not be suitable for your situation. You should consult with a professional whereappropriate. Neither the publisher nor author shall be liable for any loss of profit or any other commercial damages, including but not limited to special, incidental, consequential, or other damages. For general information on our other products and services or for technical support, please contact our Customer Care Department within the United States at (800) 762-2974, outside the United States at (317)572-3993 or fax (317) 572-4002. Wiley also publishes its books in a variety of electronic formats. Some content that appears in print may not be available in electronic formats. For more information about Wiley products, visit our web site at www.wiley.com. 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 6600 .0285- -dc22 2005019351 Printed in the United States of America 10 9 8 7 6 5 4 3 2 1

CONTENTS

Preface 1 Introduction Organization, 2 Algebraic Equations, 2 Process Simulation, 2 Differential Equations, 3 Appendices, 4 2 Equations ofState

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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...