{PDF} Modeling and Simulation of Heterogeneous Catalytic Reactions: From the Molecular Process to the Technical System

Content:
Chapter 1 Modeling Catalytic Reactions on Surfaces with Density Functional Theory (pages 1?38): John A. Keith, Josef Anton, Payam Kaghazchi and Timo Jacob
Chapter 2 Dynamics of Reactions at Surfaces (pages 39?70): Axel Gro?
Chapter 3 First?Principles Kinetic Monte Carlo Simulations for Heterogeneous Catalysis: Concepts, Status, and Frontiers (pages 71?111): Karsten Reuter
Chapter 4 Modeling the Rate of Heterogeneous Reactions (pages 113?148): Lothar Kunz, Lubow Maier, Steffen Tischer and Prof. Dr. Olaf Deutschmann
Chapter 5 Modeling Reactions in Porous Media (pages 149?186): Frerich J. Keil
Chapter 6 Modeling Porous Media Transport, Heterogeneous Thermal Chemistry, and Electrochemical Charge Transfer (pages 187?219): Robert J. Kee and Huayang Zhu
Chapter 7 Evaluation of Models for Heterogeneous Catalysis (pages 221?250): John Mantzaras
Chapter 8 Computational Fluid Dynamics of Catalytic Reactors (pages 251?282): Vinod M. Janardhanan and Prof. Dr. Olaf Deutschmann
Chapter 9 Perspective of Industry on Modeling Catalysis (pages 283?301): Jens R. Rostrup?Nielsen
Chapter 10 Perspectives of the Automotive Industry on the Modeling of Exhaust Gas Aftertreatment Catalysts (pages 303?343): Daniel Chatterjee, Volker Schmei?er, Marcus Frey and Michel Weibel