Molecular Simulation of Multicomponent Adsorption and Diffusion in Zeolites PDF Download
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Author: Shaji Chempath
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
Adsorption and diffusion of guest molecules in zeolite channels was studied with molecular simulations. Using improved algorithms we have calculated adsorption equilibria and diffusion coefficients at conditions that could not be studied previously.
Author: Shaji Chempath
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
Adsorption and diffusion of guest molecules in zeolite channels was studied with molecular simulations. Using improved algorithms we have calculated adsorption equilibria and diffusion coefficients at conditions that could not be studied previously.
Author: Amit Gupta
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
This work focuses on developing and implementing techniques for simulating multi-component adsorption and diffusion in zeolite silicalite.
Author: Susana Valencia
Publisher: Springer Nature
ISBN: 3030638537
Category : Science
Languages : en
Pages : 233
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Book Description
This volume compiles and discusses the fundamental and multidisciplinary knowledge on adsorption and separation processes using zeolites as adsorbents. Over the last decade, a large amount of research has been carried out for the development of zeolites as adsorbents. However, there is still a growing interest to increase the understanding of such selective adsorbents. Therefore, synthesis strategies and new approaches for developing new selective zeolite adsorbents for gas separation are presented in the first chapter. In addition, a chapter focused on adsorption characterization techniques of microporous materials is included. This will be helpful for advanced readers, since the new IUPAC recommendations for microporous characterization are not still widely employed by the zeolite community. Experimental and theoretical aspects of economically and environmentally relevant separations, which have been successfully carried out with zeolites, are discussed in detail in subsequent chapters. Finally, industrial zeolite based adsorption and separation processes as well as current perspectives for new zeolite based separations, and improvements of current technologies are presented.
Author: Randall Quentin Snurr
Publisher:
ISBN:
Category :
Languages : en
Pages : 376
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Book Description
Author: Vishwas Gupta
Publisher:
ISBN:
Category :
Languages : en
Pages : 486
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Book Description
Author: Hellmut G. Karge
Publisher: Springer Science & Business Media
ISBN: 3540739661
Category : Science
Languages : en
Pages : 411
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Book Description
"Molecular Sieves - Science and Technology" covers, in a comprehensive manner, the science and technology of zeolites and all related microporous and mesoporous materials. The contributions are grouped together topically in such a way that each volume deals with a specific sub-field. Volume 7 treats fundamentals and analyses of adsorption and diffusion in zeolites including single-file diffusion. Various methods of measuring adsorption and diffusion are described and discussed.
Author: Jude Anthony Dunne
Publisher:
ISBN:
Category :
Languages : en
Pages : 338
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Book Description
Author: Jiri Cejka
Publisher: John Wiley & Sons
ISBN: 9783527630301
Category : Technology & Engineering
Languages : en
Pages : 918
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Book Description
This indispensable two-volume handbook covers everything on this hot research field. The first part deals with the synthesis, modification, characterization and application of catalytic active zeolites, while the second focuses on such reaction types as cracking, hydrocracking, isomerization, reforming and other industrially important topics. Edited by a highly experienced and internationally renowned team with chapters written by the "Who's Who" of zeolite research.
Author: Jan-Baptist Willem Peter Loos
Publisher:
ISBN:
Category : Science
Languages : en
Pages : 232
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Book Description
Author: Daan Frenkel
Publisher: Elsevier
ISBN: 0323913180
Category : Science
Languages : en
Pages : 868
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Book Description
Understanding Molecular Simulation explains molecular simulation from a chemical-physics and statistical-mechanics perspective. It highlights how physical concepts are used to develop better algorithms and expand the range of applicability of simulations. Understanding Molecular Simulation is equally relevant for those who develop new code and those who use existing packages. Both groups are continuously confronted with the question of which computational technique best suits a given application. Understanding Molecular Simulation provides readers with the foundational knowledge they need to learn about, select and apply the most appropriate of these tools to their own work. The implementation of simulation methods is illustrated in pseudocodes, and their practical use is shown via case studies presented throughout the text. Since the second edition's publication, the simulation world has expanded significantly: existing techniques have continued to develop, and new ones have emerged, opening up novel application areas. This new edition aims to describe these new developments without becoming exhaustive; examples are included that highlight current uses, and several new examples have been added to illustrate recent applications. Examples, case studies, questions, and downloadable algorithms are also included to support learning. No prior knowledge of computer simulation is assumed. - Fully updated guide to both the current state and latest developments in the field of molecular simulation, including added and expanded information on such topics as molecular dynamics and statistical assessment of simulation results - Gives a rounded overview by showing fundamental background information in practice via new examples in a range of key fields - Provides online access to new data, algorithms and tutorial slides to support and encourage practice and learning
