Page 9 - Introduction to chemical reaction engineering and kinetics

Preface ix

and to illustrate their application by means of relatively simple and idealized prob-
lem situations that can be solved with a calculator. However, with the availability of
computer-based solution techniques, it is desirable to go beyond this approach for sev-
eral reasons:
(1) Computer software allows the solution of more complex problems that require
numerical, as opposed to analytical, techniques. Thus, a student can explore sit-
uations that more closely approximate real reactor designs and operating con-
ditions. This includes studying the sensitivity of a calculated result to changing
operating conditions.
(2) The limitations of analytical solutions may also interfere with the illustration of
important features of reactions and of reactors. The consequences of linear be-
havior, such as first-order kinetics, may be readily demonstrated in most cases by
analytical techniques, but those of nonlinear behavior, such as second-order or
Langmuir-Hinshelwood kinetics, generally require numerical techniques.
(3) The development of mechanistic rate laws also benefits from computer simu-
lations. All relevant elementary steps can be included, whereas, with analytical
techniques, such an exploration is usually impossible.
(4) Computer-aided visual demonstrations in lectures and tutorials are desirable for
topics that involve spatial and/or time-dependent aspects.
For these reasons, we include examples and problems that require numerical tech-
niques for their solution together with suitable computer software (described below).

v
Computer Software: E-Z Solve: The Engineer’s Equation Solving and
“OP
0 Analysis Tool Inc and distributed by John Wiley & Sons, Inc. It can be used
Accompanying this book is a CD-ROM containing the computer software E-Z Solve,
developed by IntelliPro,
for parameter estimation and equation solving, including solution of sets of both non-
linear algebraic equations and differential equations. It is extremely easy to learn and
use. We have found that a single 2-hour tutorial is sufficient to instruct students in its
application. We have also used it in research problems, such as modeling of transient
behavior in kinetics investigations. Other computer software programs may be used,
if appropriate, to solve most of the examples and problems in the text that are solved
with the aid of E-Z Solve (indicated in the text by a computer icon shown in the mar-
gin above). The successful use of the text is not restricted to the use of E-Z Solve for
software support, although we encourage its use because of its capabilities for nonlin-
ear parameter estimation and solution of coupled differential and algebraic equations.
Appendix D provides examples illustrating the use of the software for these types of
problems, along with the required syntax.

Web Site

A web site at www.wiley.com/college/missen is available for ongoing support of this
book. It includes resources to assist students and instructors with the subject matter,
such as sample files, demonstrations, and a description of the E-Z Solve software ap-
pearing on the CD-ROM that accompanies this book.

Acknowledgments
We acknowledge our indebtedness to those who have contributed to the literature on
the topics presented here, and on whose work we have drawn. We are grateful for the