Modeling and Simulation of Heterogeneous Catalytic Reactions

Modeling and Simulation of Heterogeneous Catalytic Reactions
Author: Olaf Deutschmann
Publisher: John Wiley & Sons
Total Pages: 364
Release: 2013-09-18
Genre: Science
ISBN: 3527639888

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The Nobel Prize in Chemistry 2007 awarded to Gerhard Ertl for his groundbreaking studies in surface chemistry highlighted the importance of heterogeneous catalysis not only for modern chemical industry but also for environmental protection. Heterogeneous catalysis is seen as one of the key technologies which could solve the challenges associated with the increasing diversification of raw materials and energy sources. It is the decisive step in most chemical industry processes, a major method of reducing pollutant emissions from mobile sources and is present in fuel cells to produce electricity. The increasing power of computers over the last decades has led to modeling and numerical simulation becoming valuable tools in heterogeneous catalysis. This book covers many aspects, from the state-of-the-art in modeling and simulations of heterogeneous catalytic reactions on a molecular level to heterogeneous catalytic reactions from an engineering perspective. This first book on the topic conveys expert knowledge from surface science to both chemists and engineers interested in heterogeneous catalysis. The well-known and international authors comprehensively present many aspects of the wide bridge between surface science and catalytic technologies, including DFT calculations, reaction dynamics on surfaces, Monte Carlo simulations, heterogeneous reaction rates, reactions in porous media, electro-catalytic reactions, technical reactors, and perspectives of chemical and automobile industry on modeling heterogeneous catalysis. The result is a one-stop reference for theoretical and physical chemists, catalysis researchers, materials scientists, chemical engineers, and chemists in industry who would like to broaden their horizon and get a substantial overview on the different aspects of modeling and simulation of heterogeneous catalytic reactions.


Modeling and Simulation of Heterogeneous Catalytic Reactions
Language: en
Pages: 364
Authors: Olaf Deutschmann
Categories: Science
Type: BOOK - Published: 2013-09-18 - Publisher: John Wiley & Sons

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The Nobel Prize in Chemistry 2007 awarded to Gerhard Ertl for his groundbreaking studies in surface chemistry highlighted the importance of heterogeneous cataly
Modeling and Simulation of Heterogeneous Catalytic Processes
Language: en
Pages: 312
Authors:
Categories: Technology & Engineering
Type: BOOK - Published: 2014-09-22 - Publisher: Academic Press

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Heterogeneous catalysis and mathematical modeling are essential components of the continuing search for better utilization of raw materials and energy, with red
Design of Heterogeneous Catalysts
Language: en
Pages: 340
Authors: Umit S. Ozkan
Categories: Science
Type: BOOK - Published: 2009-02-11 - Publisher: John Wiley & Sons

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This long-awaited reference source is the first book to focus on this important and hot topic. As such, it provides examples from a wide array of fields where c
Multiscale and Innovative Kinetic Approaches in Heterogeneous Catalysis
Language: en
Pages: 214
Authors: Pascal Granger
Categories: Technology & Engineering
Type: BOOK - Published: 2019-07-11 - Publisher: MDPI

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Kinetics and reactor modeling for heterogeneous catalytic reactions are prominent tools for investigating and understanding catalyst functionalities at nanoscal
Heterogeneous Catalysis
Language: en
Pages: 216
Authors: Abdullah A. Shaikh
Categories: Science
Type: BOOK - Published: 2020-08-10 - Publisher: Walter de Gruyter GmbH & Co KG

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This textbook is a perfect introduction to heterogeneous catalysis focusing on the industrial implementation. It is written in a comprehensible manner using lan