Modeling And Simulation Of Heterogeneous Catalytic Processes
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Modeling And Simulation Of Heterogeneous Catalytic Processes
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Author :
language : en
Publisher: Academic Press
Release Date : 2014-09-22
Modeling And Simulation Of Heterogeneous Catalytic Processes written by and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-09-22 with Technology & Engineering categories.
Heterogeneous catalysis and mathematical modeling are essential components of the continuing search for better utilization of raw materials and energy, with reduced impact on the environment. Numerical modeling of chemical systems has progressed rapidly due to increases in computer power, and is used extensively for analysis, design and development of catalytic reactors and processes. This book presents reviews of the state-of-the-art in modeling of heterogeneous catalytic reactors and processes. Reviews by leading authorities in the respective areas Up-to-date reviews of latest techniques in modeling of catalytic processes Mix of US and European authors, as well as academic/industrial/research institute perspectives Connections between computation and experimental methods in some of the chapters
Modeling And Simulation Of Heterogeneous Catalytic Reactions
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Author : Olaf Deutschmann
language : en
Publisher: John Wiley & Sons
Release Date : 2013-09-18
Modeling And Simulation Of Heterogeneous Catalytic Reactions written by Olaf Deutschmann and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-09-18 with Science categories.
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 Catalytic Reactors For Petroleum Refining
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Author : Jorge Ancheyta
language : en
Publisher: John Wiley & Sons
Release Date : 2011-04-20
Modeling And Simulation Of Catalytic Reactors For Petroleum Refining written by Jorge Ancheyta and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-04-20 with Technology & Engineering categories.
Modeling and Simulation of Catalytic Reactors for Petroleum Refining deals with fundamental descriptions of the main conversion processes employed in the petroleum refining industry: catalytic hydrotreating, catalytic reforming, and fluid catalytic cracking. Common approaches for modeling of catalytic reactors for steady-state and dynamic simulations are also described and analyzed. Aspects such as thermodynamics, reaction kinetics, process variables, process scheme, and reactor design are discussed in detail from both research and commercial points of view. Results of simulation with the developed models are compared with those determined at pilot plant scale as well as commercial practice. Kinetics data used in the reactor model are either taken from the literature or obtained under controlled experiments at the laboratory.
Modelling Simulation And Optimization Of Industrial Fixed Bed Catalytic Reactors
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Author : S. S. E. H. Elnashaie
language : en
Publisher: CRC Press
Release Date : 1994-03-07
Modelling Simulation And Optimization Of Industrial Fixed Bed Catalytic Reactors written by S. S. E. H. Elnashaie and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994-03-07 with Mathematics categories.
The use of mathematical modelling of gas-solid catalytic reactors in industry is still limited. By consolidating progress in the understanding of catalytic processes, this book applies these fundamental advances to the development of models for design, simulation and optimization of industrial reactors.
Mechanisms In Homogeneous And Heterogeneous Epoxidation Catalysis
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Author : S. Ted Oyama
language : en
Publisher: Elsevier
Release Date : 2011-10-13
Mechanisms In Homogeneous And Heterogeneous Epoxidation Catalysis written by S. Ted Oyama and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-10-13 with Technology & Engineering categories.
The catalytic epoxidation of olefins plays an important role in the industrial production of several commodity compounds, as well as in the synthesis of many intermediates, fine chemicals, and pharmaceuticals. The scale of production ranges from millions of tons per year to a few grams per year. The diversity of catalysts is large and encompasses all the known categories of catalyst type: homogeneous, heterogeneous, and biological. This book summarizes the current status in these fields concentrating on rates, kinetics, and reaction mechanisms, but also covers broad topics including modeling, computational simulation, process concepts, spectroscopy and new catalyst development. The similarities and distinctions between the different reaction systems are compared, and the latest advances are described. - Comprehensive listing of epoxide products - Broad comparison of turnover frequencies of homogeneous, hetergeneous, main-group, biomimetic and biological catalysts - Analysis of the general strengths and weaknesses of varied catalytic systems - Detailed description of the mechanisms of reaction for classical and emerging catalysts
Molecular Modeling Of Corrosion Processes
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Author : Christopher D. Taylor
language : en
Publisher: John Wiley & Sons
Release Date : 2015-04-27
Molecular Modeling Of Corrosion Processes written by Christopher D. Taylor and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-04-27 with Science categories.
Presents opportunities for making significant improvements in preventing harmful effects that can be caused by corrosion Describes concepts of molecular modeling in the context of materials corrosion Includes recent examples of applications of molecular modeling to corrosion phenomena throughout the text Details how molecular modeling can give insights into the multitude of interconnected and complex processes that comprise the corrosion of metals Covered applications include diffusion and electron transfer at metal/electrolyte interfaces, Monte Carlo simulations of corrosion, corrosion inhibition, interrogating surface chemistry, and properties of passive films Presents current challenges and likely developments in this field for the future
Plasma Catalysis
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Author : Annemie Bogaerts
language : en
Publisher: MDPI
Release Date : 2019-04-02
Plasma Catalysis written by Annemie Bogaerts and has been published by MDPI this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-04-02 with Technology & Engineering categories.
Plasma catalysis is gaining increasing interest for various gas conversion applications, such as CO2 conversion into value-added chemicals and fuels, N2 fixation for the synthesis of NH3 or NOx, methane conversion into higher hydrocarbons or oxygenates. It is also widely used for air pollution control (e.g., VOC remediation). Plasma catalysis allows thermodynamically difficult reactions to proceed at ambient pressure and temperature, due to activation of the gas molecules by energetic electrons created in the plasma. However, plasma is very reactive but not selective, and thus a catalyst is needed to improve the selectivity. In spite of the growing interest in plasma catalysis, the underlying mechanisms of the (possible) synergy between plasma and catalyst are not yet fully understood. Indeed, plasma catalysis is quite complicated, as the plasma will affect the catalyst and vice versa. Moreover, due to the reactive plasma environment, the most suitable catalysts will probably be different from thermal catalysts. More research is needed to better understand the plasma–catalyst interactions, in order to further improve the applications.
Heterogeneous Catalysts
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Author : Wey Yang Teoh
language : en
Publisher: John Wiley & Sons
Release Date : 2021-02-23
Heterogeneous Catalysts written by Wey Yang Teoh and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-02-23 with Technology & Engineering categories.
Presents state-of-the-art knowledge of heterogeneous catalysts including new applications in energy and environmental fields This book focuses on emerging techniques in heterogeneous catalysis, from new methodology for catalysts design and synthesis, surface studies and operando spectroscopies, ab initio techniques, to critical catalytic systems as relevant to energy and the environment. It provides the vision of addressing the foreseeable knowledge gap unfilled by classical knowledge in the field. Heterogeneous Catalysts: Advanced Design, Characterization and Applications begins with an overview on the evolution in catalysts synthesis and introduces readers to facets engineering on catalysts; electrochemical synthesis of nanostructured catalytic thin films; and bandgap engineering of semiconductor photocatalysts. Next, it examines how we are gaining a more precise understanding of catalytic events and materials under working conditions. It covers bridging pressure gap in surface catalytic studies; tomography in catalysts design; and resolving catalyst performance at nanoscale via fluorescence microscopy. Quantum approaches to predicting molecular reactions on catalytic surfaces follows that, along with chapters on Density Functional Theory in heterogeneous catalysis; first principles simulation of electrified interfaces in electrochemistry; and high-throughput computational design of novel catalytic materials. The book also discusses embracing the energy and environmental challenges of the 21st century through heterogeneous catalysis and much more. Presents recent developments in heterogeneous catalysis with emphasis on new fundamentals and emerging techniques Offers a comprehensive look at the important aspects of heterogeneous catalysis Provides an applications-oriented, bottoms-up approach to a high-interest subject that plays a vital role in industry and is widely applied in areas related to energy and environment Heterogeneous Catalysts: Advanced Design, Characterization and Applications is an important book for catalytic chemists, materials scientists, surface chemists, physical chemists, inorganic chemists, chemical engineers, and other professionals working in the chemical industry.
Engineering Catalysis
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Author : Dmitry Yu. Murzin
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2020-02-10
Engineering Catalysis written by Dmitry Yu. Murzin and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-02-10 with Science categories.
The book illuminates various aspects of heterogeneous catalysis engineering, from catalysis design, catalyst preparation and characterization, reaction kinetics, mass transfer, and catalytic reactors to the implementation of catalysts in chemical technology. Aimed at graduate students, it is also a useful resource for professionals working in research and development.
Reaction Kinetics And The Development Of Catalytic Processes
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Author : G.F. Froment
language : en
Publisher: Elsevier
Release Date : 1999-03-18
Reaction Kinetics And The Development Of Catalytic Processes written by G.F. Froment and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 1999-03-18 with Science categories.
The symposium "Reaction Kinetics and the Development of Catalytic Processes" is the continuation of the very successful International Symposium "Dynamics of Surfaces and Reaction Kinetics in Heterogeneous Catalysis", held in September 1997 in Antwerp, Belgium. These proceedings contain a unique series of top level plenary lectures mainly focused on• the dynamics of catalytic surfaces• the interaction of the reacting molecules with the solid catalyst• the elementary steps of reaction pathways and molecular kinetics.Surface science techniques, molecular modeling, transient kinetic studies, sophisticated and specific reactors are included to a growing extent in the kinetic modeling and the development of catalytic processes. How this is practiced today and how it will evolve in the coming years, and what benefit can be expected for a more fundamentally based approach is the aim of the symposium.