Computer-Aided Design of Catalysts

Cover......Page 1
Half Title......Page 2
Series Page......Page 3
Title Page......Page 6
Copyright Page......Page 7
Preface......Page 8
Table of Contents......Page 10
Contributors......Page 12
1. Introduction......Page 18
2. Microkinetic Analysis and Catalytic Reaction Synthesis for Methane Partial Oxidation......Page 26
3. Catalyst-Based Descriptions of Catalytic Cracking Chemistry......Page 48
4. Molecular Simulation of Kinetic Interactions in Complex Mixtures......Page 72
5. Simulation Techniques for the Characterization of Structural and Transport Properties of Catalyst Pellets......Page 106
6. Optimal Distribution of Catalyst in Pellets......Page 154
7. Reaction-Transport Selectivity Models and the Design of Fischer-Tropsch Catalysts......Page 216
8. Catalytic Converter Modeling for Automotive Emission Control......Page 276
9. Design of Monolithic Catalysts for Improved Transient Performance......Page 314
10. Modeling of Polymerization Processes......Page 352
11. Impact of Wetting on Catalyst Performance in Multiphase Reaction Systems......Page 408
12. Catalytic Membrane Reactors......Page 488
13. Some Aspects of Modeling in Petroleum Processing......Page 570
Index......Page 620