A guide to the theoretical underpinnings and practical applications of chemically reacting flow

Complex chemically reacting flow simulations are commonly employed to develop quantitative understanding and to optimize reaction conditions in systems such as combustion, catalysis, chemical vapor deposition, and other chemical processes. Although reaction conditions, geometries, and fluid flow can vary widely among the applications of chemically reacting flows, all applications share a need for accurate, detailed descriptions of the chemical kinetics occurring in the gas-phase or on reactive surfaces. Chemically Reacting Flow: Theory and Practice combines fundamental concepts in fluid mechanics and physical chemistry, assisting the student and practicing researcher in developing analytical and simulation skills that are useful and extendable for solving real-world engineering problems.

The first several chapters introduce transport processes, primarily from a fluid-mechanics point of view, incorporating computational simulation from the outset. The middle section targets physical chemistry topics that are required to develop chemically reacting flow simulations, such as chemical thermodynamics, molecular transport, chemical rate theories, and reaction mechanisms. The final chapters deal with complex chemically reacting flow simulations, emphasizing combustion and materials processing. Among other features, Chemically Reacting Flow: Theory and Practice:

• Advances a comprehensive approach to interweaving the fundamentals of chemical kinetics and fluid mechanics
• Embraces computational simulation, equipping the reader with effective, practical tools for solving real-world problems
• Emphasizes physical fundamentals, enabling the analyst to understand how reacting flow simulations achieve their results
• Provides a valuable resource for scientists and engineers who use Chemkin or similar software

Computer simulation of reactive systems is highly effective in the development, enhancement, and optimization of chemical processes. Chemically Reacting Flow helps prepare both students and professionals to take practical advantage of this powerful capability.

Presents the fundamental concepts of fluid mechanics and physical chemistry, intended for the student and practicing researcher seeking to develop analytical and simulation skills that are useful for solving real-world engineering problems. Chapters address transport processes, mainly from a fluid-mechanics perspective, incorporating computational simulation from the outset. Physical chemistry topics are also addressed, emphasizing those that are required to develop chemically reacting flow simulations such as chemical thermodynamics, molecular transport, chemical rate theories, and reaction mechanisms. The final part deals with complex chemically reacting flow simulations, emphasizing combustion and materials processing. Annotation (c)2003 Book News, Inc., Portland, OR (booknews.com)

"...one of the best books...on reacting flows...strongly recommended..." (Choice, Vol. 41, No. 1, September 2003)

New and fresh approach interweaving the fundamentals of chemical kinetics and fluid mechanics.
x Writing and illustrations embrace computational simulation throughout, equipping the reader with effective and practical tools for solving real problems.
x Emphasizes fundamentals, allowing the analyst to understand exactly what is being accomplished by the simulation software.

Chemically Reacting Flow Modeling combines fundamental concepts in fluid mechanics and physical chemistry, supporting increasingly important technologies like electronic thin-film processing or combustion-emission abatement. The book assists the student and professional in developing analysis and simulation skills that are usable and extendable for solving real-world engineering problems.

ROBERT J. KEE, PhD,is the George R. Brown Distinguished Professor of Engineering at the Colorado School of Mines in Golden, Colorado.

MICHAEL E. COLTRIN, PhD,is a Distinguished Member of the Technical Staff at Sandia National Laboratories in Albuquerque, New Mexico.

PETER GLARBORG, PhD,is a Professor of Chemical Engineering at the Technical University of Denmark in Lyngby, Denmark.

Preface.

Acknowledgments.

Nomenclature.

Introduction.

Fluid Kinematics.

The Conservation Equations.

Parallel Flows.

Similarity and Local Similarity.

Stagnation Flows.

Channel Flow.

Statistical Thermodynamics.

Mass Action Kinetics.

Reaction Rate Theories.

Heterogeneous Chemistry.

Molecular Transport.

Reaction Mechanisms.

High-Temperature Chemistry.

Numerical Solution of Stiff Equations.

Zero- and One-Dimensional Systems.

Two-Dimensional Systems.

Appendix A. Vector and Tensor Operations.

Appendix B. Navier-Stokes Equations.

Appendix C. Boundary-Layer Behavior.

Appendix D. Solving Differential Equations in Excel.

Appendix E. The Chemkin Approach.

References.

Index.