Computer-Aided Modeling of Reactive Systems

This book will acquaint the reader with some of the important tools and strategies now available for investigating chemical processes and systems on personal computers. It presents useful mathematical models, numerical methods for solving them, and statistical methods for testing and discriminating candidate models with experimental data. The book includes instruction on Chemical Reaction Models, Chemical Reactor Models, Probability and Statistics, Bayesian Estimation, Process Modeling with Single-Response Data, Process Modeling with Multiresponse Data, along with an appendix of worked problems and solutions. Software is also available for academic adopters via Athena Visual Studio, downloadable at www.AthenaVisual.com, The software enables readers to do these computations and view the results on their personal computer screens, print them and transmit them. Familiarity withMicrosoft Windows (1998 or later) is required, but little knowledge of Fortran,since Athena converts equation statements directly into Fortran code as described in the Athena tutorial on your computer's desktop.

The Late Warren E. Stewart, PhD, was a professor of chemical engineeringat the University of Wisconsin–Madison, published numerous research articles, coauthored the landmark textbook Transport Phenomena, and was the recipient of many awards from AIChE, ACS, ASEE, and the University of Wisconsin. He was a fellow of the American Institute of Chemical Engineers and a member of the National Academy of Engineering.

Michael Caracotsios, PhD, is a Senior Modeling and Optimization Specialist in research and development at UOP LLC, a company that has been delivering cutting-edge technology to the petroleum refining, gas processing, petrochemical production, and other major manufacturing industries for over ninety years. He is also an Adjunct Professor of Chemical Engineering at the Northwestern University.