Computer-Aided Design of Catalysts [Hardcover]

This volume provides an update on recent developments in computer-aided design and modeling of catalysts for a variety of important industrial applications. Key hurdles in catalyst design are different for each application: the modeling frontiers for methane partial oxidation, automotive catalysis, Introduction, E. Robert Becker and Carmo J. Pereira Microkinetic Analysis and Catalytic Reaction Synthesis for Methane Partial Oxidation, Ma.-Guadalupe C?denas-Galindo, Luis M. Aparicio, Dale F. Rudd, and James A. Dumesic Catalyst-Based Descriptions of Catalytic Cracking Chemistry, David T. Allen, Pradeep Marathe, and Robert H. Harding Molecular Simulation of Kinetic Interactions in Complex Mixtures, Matthew Neurock, Scott M. Stark, and Michael T. Klein Simulation Techniques for the Characterization of Structural and Transport Properties of Catalyst Pellets, Sebastian C. Reyes and Enrique Iglesia Optimal Distribution of Catalyst in Pellets, Asterios Gavriildis, Arvind Varma, and Massimo Morbidelli Reaction-Transport Selectivity Models and the Design of Fischer-Tropsch Catalysts, Enrique Iglesia, Sebastian C. Reyes, and Stuart L. Soled Catalytic Converter Modeling for Automotive Emission Control, Se H. Oh Design of Monolithic Catalysts for Improved Transient Performance, Kyriacos Zygourakis Modeling of Polymerization Processes, Kyu-Yong Choi Impact of Wetting on Catalyst Performance in Multiphase Reactions Systems, Michael P. Harold Catalytic Membrane Reactors, Theodore T. Tsotsis, Althea M. Champagnie, Ronald G. Minet, and Paul K. T. Liu Some Aspects of Modeling in Petroleum Processing, Ajit V. Sapre and James R. Katzer