Modeling and Simulation of Heterogeneous Catalytic Reactions : From the Molecular Process to the Technical System /

• Corporate Author: Wiley InterScience (Online service)
• Other Authors: Deutschmann, Olaf
• Format: eBook
• Language: English
• Published: Weinheim : Wiley-VCH ; 2012.
• Subjects: Heterogeneous catalysis > Mathematical models.; Heterogeneous catalysis > Computer simulation.; SCIENCE > Chemistry > Physical & Theoretical.; Catalyse hétérogène > Modèles mathématiques.; Catalyse hétérogène > Simulation par ordinateur.; Electronic books.

Table of Contents:

• Front Matter
• Modeling Catalytic Reactions on Surfaces with Density Functional Theory / John A Keith, Josef Anton, Payam Kaghazchi, Timo Jacob
• Dynamics of Reactions at Surfaces / Axel Gro
• First-Principles Kinetic Monte Carlo Simulations for Heterogeneous Catalysis: Concepts, Status, and Frontiers / Karsten Reuter
• Modeling the Rate of Heterogeneous Reactions / Lothar Kunz, Lubow Maier, Steffen Tischer, Olaf Deutschmann
• Modeling Reactions in Porous Media / Frerich J Keil
• Modeling Porous Media Transport, Heterogeneous Thermal Chemistry, and Electrochemical Charge Transfer / Robert J Kee, Huayang Zhu
• Evaluation of Models for Heterogeneous Catalysis / John Mantzaras
• Computational Fluid Dynamics of Catalytic Reactors / Vinod M Janardhanan, Olaf Deutschmann
• Perspective of Industry on Modeling Catalysis / Jens R Rostrup-Nielsen
• Perspectives of the Automotive Industry on the Modeling of Exhaust Gas Aftertreatment Catalysts / Daniel Chatterjee, Volker Schmeißr, Marcus Frey, Michel Weibel
• Index.