Computational Modeling Of Ni Based Catalysts For Selective Hydrogenation Of Acetylene To Ethylene

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Catalytic and Process Study of the Selective Hydrogenation of Acetylene and 1,3-Butadiene

Author : Ruijun Hou
Publisher : Springer
ISBN 13 : 981100773X
Total Pages : 151 pages
Book Rating : 4.8/5 (11 download)

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Book Synopsis Catalytic and Process Study of the Selective Hydrogenation of Acetylene and 1,3-Butadiene by : Ruijun Hou

Download or read book Catalytic and Process Study of the Selective Hydrogenation of Acetylene and 1,3-Butadiene written by Ruijun Hou and published by Springer. This book was released on 2017-01-05 with total page 151 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis offers novel methods for catalyst and process design for the selective hydrogenation of acetylene and 1,3-butadiene. The author predicts the properties of supported Pd–Ni bimetallic catalysts using density functional theory (DFT) calculations and temperature-programmed desorption (TPD). The excellent correlation between model surfaces and supported catalysts demonstrates the feasibility of designing effective bimetallic catalysts for selective hydrogenation reactions. The author also proposes a method for designing non-precious metal catalysts to replace precious metals. She modifies the process of selective hydrogenation of acetylene by coupling the selective adsorption to the selective hydrogenation in the liquid phase, as a result of which the ethylene selectivity is greatly improved and heat transfer is greatly enhanced. Lastly, by analyzing the mechanism of liquid-phase hydrogenation, the author proposes a multi-stage slurry bed reactor for industrial applications.“/p>

Comprehensive Inorganic Chemistry II

Author :
Publisher : Newnes
ISBN 13 : 0080965296
Total Pages : 7694 pages
Book Rating : 4.0/5 (89 download)

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Book Synopsis Comprehensive Inorganic Chemistry II by :

Download or read book Comprehensive Inorganic Chemistry II written by and published by Newnes. This book was released on 2013-07-23 with total page 7694 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive Inorganic Chemistry II, Nine Volume Set reviews and examines topics of relevance to today’s inorganic chemists. Covering more interdisciplinary and high impact areas, Comprehensive Inorganic Chemistry II includes biological inorganic chemistry, solid state chemistry, materials chemistry, and nanoscience. The work is designed to follow on, with a different viewpoint and format, from our 1973 work, Comprehensive Inorganic Chemistry, edited by Bailar, Emeléus, Nyholm, and Trotman-Dickenson, which has received over 2,000 citations. The new work will also complement other recent Elsevier works in this area, Comprehensive Coordination Chemistry and Comprehensive Organometallic Chemistry, to form a trio of works covering the whole of modern inorganic chemistry. Chapters are designed to provide a valuable, long-standing scientific resource for both advanced students new to an area and researchers who need further background or answers to a particular problem on the elements, their compounds, or applications. Chapters are written by teams of leading experts, under the guidance of the Volume Editors and the Editors-in-Chief. The articles are written at a level that allows undergraduate students to understand the material, while providing active researchers with a ready reference resource for information in the field. The chapters will not provide basic data on the elements, which is available from many sources (and the original work), but instead concentrate on applications of the elements and their compounds. Provides a comprehensive review which serves to put many advances in perspective and allows the reader to make connections to related fields, such as: biological inorganic chemistry, materials chemistry, solid state chemistry and nanoscience Inorganic chemistry is rapidly developing, which brings about the need for a reference resource such as this that summarise recent developments and simultaneously provide background information Forms the new definitive source for researchers interested in elements and their applications; completely replacing the highly cited first edition, which published in 1973

Machine Learning and Hybrid Modelling for Reaction Engineering

Author : Dongda Zhang
Publisher : Royal Society of Chemistry
ISBN 13 : 1837670188
Total Pages : 342 pages
Book Rating : 4.8/5 (376 download)

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Book Synopsis Machine Learning and Hybrid Modelling for Reaction Engineering by : Dongda Zhang

Download or read book Machine Learning and Hybrid Modelling for Reaction Engineering written by Dongda Zhang and published by Royal Society of Chemistry. This book was released on 2023-12-20 with total page 342 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the last decade, there has been a significant shift from traditional mechanistic and empirical modelling into statistical and data-driven modelling for applications in reaction engineering. In particular, the integration of machine learning and first-principle models has demonstrated significant potential and success in the discovery of (bio)chemical kinetics, prediction and optimisation of complex reactions, and scale-up of industrial reactors. Summarising the latest research and illustrating the current frontiers in applications of hybrid modelling for chemical and biochemical reaction engineering, Machine Learning and Hybrid Modelling for Reaction Engineering fills a gap in the methodology development of hybrid models. With a systematic explanation of the fundamental theory of hybrid model construction, time-varying parameter estimation, model structure identification and uncertainty analysis, this book is a great resource for both chemical engineers looking to use the latest computational techniques in their research and computational chemists interested in new applications for their work.

Catalytic Hydrogenation

Author : L. Cervený
Publisher : Elsevier
ISBN 13 : 0080960618
Total Pages : 705 pages
Book Rating : 4.0/5 (89 download)

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Book Synopsis Catalytic Hydrogenation by : L. Cervený

Download or read book Catalytic Hydrogenation written by L. Cervený and published by Elsevier. This book was released on 1986-08-01 with total page 705 pages. Available in PDF, EPUB and Kindle. Book excerpt: The collection of contributions in this volume presents the most up-to-date findings in catalytic hydrogenation. The individual chapters have been written by 36 top specialists each of whom has achieved a remarkable depth of coverage when dealing with his particular topic. In addition to detailed treatment of the most recent problems connected with catalytic hydrogenations, the book also contains a number of previously unpublished results obtained either by the authors themselves or within the organizations to which they are affiliated.Because of its topical and original character, the book provides a wealth of information which will be invaluable not only to researchers and technicians dealing with hydrogenation, but also to all those concerned with homogeneous and heterogeneous catalysis, organic technology, petrochemistry and chemical engineering.

Chemical Abstracts

Author :
Publisher :
ISBN 13 :
Total Pages : 2540 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Chemical Abstracts by :

Download or read book Chemical Abstracts written by and published by . This book was released on 2002 with total page 2540 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Bimetallic Catalysts

Author : John H. Sinfelt
Publisher : Wiley-Interscience
ISBN 13 :
Total Pages : 190 pages
Book Rating : 4.:/5 (44 download)

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Book Synopsis Bimetallic Catalysts by : John H. Sinfelt

Download or read book Bimetallic Catalysts written by John H. Sinfelt and published by Wiley-Interscience. This book was released on 1983-09-29 with total page 190 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presents an account of the research on bimetallic catalysts. Focuses attention on the possibility of influencing the selectivity of chemical transformations on metal surfaces and preparing metal alloys in a highly dispersed state. Covers the validation and elucidation of the bimetallic cluster concept. Includes figures and tables.

Supported Metal Single Atom Catalysis

Author : Philippe Serp
Publisher : Wiley-VCH
ISBN 13 : 9783527348442
Total Pages : 688 pages
Book Rating : 4.3/5 (484 download)

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Book Synopsis Supported Metal Single Atom Catalysis by : Philippe Serp

Download or read book Supported Metal Single Atom Catalysis written by Philippe Serp and published by Wiley-VCH. This book was released on 2022-02-22 with total page 688 pages. Available in PDF, EPUB and Kindle. Book excerpt: b”Supported Metal Single Atom CatalysisCovers all key aspects of supported metal single atom catalysts, an invaluable resource for academic researchers and industry professionals alike Single atom catalysis is one of the most innovative and dynamic research areas in catalysis science. Supported metal catalysts are used extensively across the chemical industry, ranging from fine and bulk chemical production to petrochemicals. Single atom catalysts (SACs) combine the advantages of both homogeneous and heterogeneous catalysts such as catalyst stability, activity, and high dispersion of the active phase. Supported Metal Single Atom Catalysis provides an authoritative and up-to-date overview of the emerging field, covering the synthesis, preparation, characterization, modeling, and applications of SACs. This comprehensive volume introduces the basic principles of single atom catalysis, describes metal oxide and carbon support materials for SAC preparation, presents characterization techniques and theoretical calculations, and discusses SACs in areas including selective hydrogenation, oxidation reactions, activation of small molecules, C-C bond formation, and biomedical applications. Highlights the activity, selectivity, and stability advantages of supported metal SACs compared to other heterogeneous catalysts Covers applications of SACs in thermal catalysis, electrocatalysis, and photocatalysis Includes chapters on single atom alloys and supported double and triple metal atom catalysts Discusses the prospects, challenges, and potential industrial applications of SACs Supported Metal Single Atom Catalysis is an indispensable reference for all those working in the fields of catalysis, solid-state chemistry, materials science, and spectroscopy, including catalytic chemists, organic chemists, electrochemists, theoretical chemists, and industrial chemists.

Multiscale and Innovative Kinetic Approaches in Heterogeneous Catalysis

Author : Pascal Granger
Publisher : MDPI
ISBN 13 : 303921179X
Total Pages : 214 pages
Book Rating : 4.0/5 (392 download)

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Book Synopsis Multiscale and Innovative Kinetic Approaches in Heterogeneous Catalysis by : Pascal Granger

Download or read book Multiscale and Innovative Kinetic Approaches in Heterogeneous Catalysis written by Pascal Granger and published by MDPI. This book was released on 2019-07-11 with total page 214 pages. Available in PDF, EPUB and Kindle. Book excerpt: Kinetics and reactor modeling for heterogeneous catalytic reactions are prominent tools for investigating and understanding catalyst functionalities at nanoscale and the related rates of complex reaction networks. This book illustrates some examples related to the transformation of simple to more complex feedstocks, including different types of reactor designs, i.e., steady-state, transient plug flow reactors, and TAP reactors for which there is sometimes a strong gap in the operating conditions from ultra-high-vacuum to high-pressure conditions. In conjunction, new methodologies have emerged, giving rise to more robust microkinetics models. As exemplified, they include the kinetics and the dynamics of the reactors and span a large range of length and time scales. The objective of this Special Issue is to provide contributions that can illustrate recent advances and novel methodologies for elucidating the kinetics of heterogeneous reactions and the necessary multiscale approach for optimizing the reactor design. This book is dedicated to postgraduate and scientific researchers, and experts in heterogeneous catalysis. It may also serve as a source of original information for the elaboration of lessons on catalysis for Master students.

Physics Briefs

Author :
Publisher :
ISBN 13 :
Total Pages : 828 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Physics Briefs by :

Download or read book Physics Briefs written by and published by . This book was released on 1988 with total page 828 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Plasma Catalysis

Author : Annemie Bogaerts
Publisher : MDPI
ISBN 13 : 3038977500
Total Pages : 248 pages
Book Rating : 4.0/5 (389 download)

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Book Synopsis Plasma Catalysis by : Annemie Bogaerts

Download or read book Plasma Catalysis written by Annemie Bogaerts and published by MDPI. This book was released on 2019-04-02 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics

Author : Bruce J Berne
Publisher : World Scientific
ISBN 13 : 9814496057
Total Pages : 881 pages
Book Rating : 4.8/5 (144 download)

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Book Synopsis Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics by : Bruce J Berne

Download or read book Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics written by Bruce J Berne and published by World Scientific. This book was released on 1998-06-17 with total page 881 pages. Available in PDF, EPUB and Kindle. Book excerpt: The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.

Heterogeneous Catalysts for Petrochemical Synthesis and Oil Refining

Author : Eduard Karakhanov
Publisher : Mdpi AG
ISBN 13 : 9783036514307
Total Pages : 100 pages
Book Rating : 4.5/5 (143 download)

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Book Synopsis Heterogeneous Catalysts for Petrochemical Synthesis and Oil Refining by : Eduard Karakhanov

Download or read book Heterogeneous Catalysts for Petrochemical Synthesis and Oil Refining written by Eduard Karakhanov and published by Mdpi AG. This book was released on 2021-10-07 with total page 100 pages. Available in PDF, EPUB and Kindle. Book excerpt: Heterogeneous catalysis is among the major solutions for cost-effective and sustainable industrial application and processing. The design and development of highly efficient and stable heterogeneous catalysts represent an emergent frontier for overcoming energy and environmental challenges. Many industrial petrochemical and oil refining processes are faced with new challenges that can be solved using heterogeneous catalysts. This book covers the most recent progress and advances in the field of heterogeneous catalysts based on mesoporous composites with embedded halloysite nanotubes covered with ruthenium nanoparticles for exhaustive aromatics hydrogenation, generated in situ and supported on zeolites' transition metal sulfides for the hydrocracking of the pyrolysis fuel oil and n-alkanes isomerization. This book also includes investigations of novel rhodium systems supported on FeCrAl composite for the coupling of pre-reforming and partial oxidation to liquefied petroleum gas processing into syngas. We have collected works devoted to the palladium catalysts based on porous aromatic frameworks and alumina for the hydrogenation of unsaturated compounds (alkynes, alkenes and dienes) and for the selective removal of acetylene from ethane-ethylene fractions.

Structured Catalysts and Reactors

Author : Andrzej Cybulski
Publisher : CRC Press
ISBN 13 : 1420028006
Total Pages : 828 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Structured Catalysts and Reactors by : Andrzej Cybulski

Download or read book Structured Catalysts and Reactors written by Andrzej Cybulski and published by CRC Press. This book was released on 2005-11-02 with total page 828 pages. Available in PDF, EPUB and Kindle. Book excerpt: Interest in structured catalysts is steadily increasing due to the already proven, as well as potential, advantages of these catalysts. Updating the comprehensive coverage of the first edition published in 1998 with the latest science and applications, Structured Catalysts and Reactors, Second Edition gives detailed information on all aspect

Selectivity in Catalysis

Author : Mark E. Davis
Publisher :
ISBN 13 :
Total Pages : 432 pages
Book Rating : 4.:/5 (44 download)

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Book Synopsis Selectivity in Catalysis by : Mark E. Davis

Download or read book Selectivity in Catalysis written by Mark E. Davis and published by . This book was released on 1993 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: Discusses recent research and provides tutorial chapters on enhancing selectivity in catalysis through stereoselectivity, reaction pathway control, shape selectivity, and alloys and clusters. Presents an interdisciplinary approach to increasing selectivity in homogeneous and heterogeneous catalysis research. Includes an overview chapter that discusses the current state of the field and offers a perspective on future directions.

Principles and Practice of Heterogeneous Catalysis

Author : John Meurig Thomas
Publisher : John Wiley & Sons
ISBN 13 : 352768378X
Total Pages : 768 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Principles and Practice of Heterogeneous Catalysis by : John Meurig Thomas

Download or read book Principles and Practice of Heterogeneous Catalysis written by John Meurig Thomas and published by John Wiley & Sons. This book was released on 2014-11-19 with total page 768 pages. Available in PDF, EPUB and Kindle. Book excerpt: This long-awaited second edition of the successful introduction to the fundamentals of heterogeneous catalysis is now completely revised and updated. Written by internationally acclaimed experts, this textbook includes fundamentals of adsorption, characterizing catalysts and their surfaces, the significance of pore structure and surface area, solid-state and surface chemistry, poisoning, promotion, deactivation and selectivity of catalysts, as well as catalytic process engineering. A final section provides a number of examples and case histories. With its color and numerous graphics plus references to help readers to easily find further reading, this is a pivotal work for an understanding of the principles involved.

Selective Catalysis for Renewable Feedstocks and Chemicals

Author : Kenneth M. Nicholas
Publisher : Springer
ISBN 13 : 3319086545
Total Pages : 265 pages
Book Rating : 4.3/5 (19 download)

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Book Synopsis Selective Catalysis for Renewable Feedstocks and Chemicals by : Kenneth M. Nicholas

Download or read book Selective Catalysis for Renewable Feedstocks and Chemicals written by Kenneth M. Nicholas and published by Springer. This book was released on 2014-09-13 with total page 265 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field.

Metal Oxides in Heterogeneous Catalysis

Author : Jacques C. Vedrine
Publisher : Elsevier
ISBN 13 : 0128116323
Total Pages : 620 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Metal Oxides in Heterogeneous Catalysis by : Jacques C. Vedrine

Download or read book Metal Oxides in Heterogeneous Catalysis written by Jacques C. Vedrine and published by Elsevier. This book was released on 2018-01-11 with total page 620 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal Oxides in Heterogeneous Catalysis is an overview of the past, present and future of heterogeneous catalysis using metal oxides catalysts. The book presents the historical, theoretical, and practical aspects of metal oxide-based heterogeneous catalysis. Metal Oxides in Heterogeneous Catalysis deals with fundamental information on heterogeneous catalysis, including reaction mechanisms and kinetics approaches.There is also a focus on the classification of metal oxides used as catalysts, preparation methods and touches on zeolites, mesoporous materials and Metal-organic frameworks (MOFs) in catalysis. It will touch on acid or base-type reactions, selective (partial) and total oxidation reactions, and enzymatic type reactions The book also touches heavily on the biomass applications of metal oxide catalysts and environmentally related/depollution reactions such as COVs elimination, DeNOx, and DeSOx. Finally, the book also deals with future trends and prospects in metal oxide-based heterogeneous catalysis. - Presents case studies in each chapter that provide a focus on the industrial applications - Includes fundamentals, key theories and practical applications of metal oxide-based heterogeneous catalysis in one comprehensive resource - Edited, and contributed, by leading experts who provide perspectives on synthesis, characterization and applications