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Computer-aided modeling of reactive systems
Stewart W., Caracotsios M., Wiley-Interscience, New York, NY, 2008. 268 pp. Type: Book (9780470274958)
Date Reviewed: Sep 3 2008

As suggested by the title, this book intends to present different techniques for parameter estimation and computational methods used for modeling complex chemical reactions and reaction processes. Stewart and Caracotsios wrote this book for anyone who desires to update his or her knowledge of different mathematical models, the numerical methods for solving them, and several statistical methods for testing “candidate” models with experimental data.

The book has seven chapters that include not only different parameter estimation and algorithmic methods for modeling chemical reactions, but also Athena Visual Studio, which is available via a dedicated Web site (http://www.athenavisual.com/).

Chapter 1 is an overview of the book, the aims, the methods, and the techniques used to present the subject exhaustively.

Chapter 2 covers the basics of chemical-reactions models, helping the user to understand chemical kinetics, reaction stoichiometry, and the equilibrium and rate of a single reaction step.

In addition to chapter 2, chapter 3 focuses on chemical-reactor models as an important tool for “process investigation, design and discovery.” Hence, the reader can understand different models for some reactor types and the use of Athena Visual Studio application software.

Chapter 4 introduces statistics and probability as main tools for model development and data-based investigations. Chapter 5 introduces Bayesian estimation as a fundamental instrument in parameter estimation.

Chapters 6 and 7 present applications related to model discrimination and design of experiments--process modeling with single or multiresponse data; these chapters treat the statistical aspects of process modeling, function estimation, model discrimination, and selection tools for additional experiments.

In conclusion, the book is a very useful tool for undergraduate or graduate students, teachers, researchers, and practitioners in the industry. It offers a reference manual for mathematical modeling of chemical and biochemical processes; it also provides the reader with additional educational information, case studies, and practical examples, all presented in a very rigorous style.

Reviewer:  M. Caramihai Review #: CR136017
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