Foundations of Molecular Modeling and Simulation


Book Description

This highly informative and carefully presented book comprises select proceedings of Foundation for Molecular Modelling and Simulation (FOMMS 2018). The contents are written by invited speakers centered on the theme Innovation for Complex Systems. It showcases new developments and applications of computational quantum chemistry, statistical mechanics, molecular simulation and theory, and continuum and engineering process simulation. This volume will serve as a useful reference to researchers, academicians and practitioners alike.




Foundations of Molecular Modeling and Simulation


Book Description

This book is a collection of select proceedings of the FOMMS 2015 conference. FOMMS 2015 was the sixth triennial FOMMS conference showcasing applications of theory of computational quantum chemistry, molecular science, and engineering simulation. The theme of the 2015 meeting was on Molecular Modeling and the Materials Genome. This volume comprises chapters on many distinct applications of molecular modeling techniques. The content will be useful to researchers and students alike.










Zeolites and Catalysis


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.







Index of Conference Proceedings


Book Description




Diffusion in Nanoporous Materials, 2 Volumes


Book Description

Atoms and molecules in all states of matter are subject to continuous irregular movement. This process, referred to as diffusion, is among the most general and basic phenomena in nature and determines the performance of many technological processes. This book provides an introduction to the fascinating world of diffusion in microporous solids. Jointly written by three well-known researchers in this field, it presents a coherent treatise, rather than a compilation of separate review articles, covering the theoretical fundamentals, molecular modeling, experimental observation and technical applications. Based on the book Diffusion in Zeolites and other Microporous Solids, originally published in 1992, it illustrates the remarkable speed with which this field has developed since that time. Specific topics include: new families of nanoporous materials, micro-imaging and single-particle tracking, direct monitoring of transient profiles by interference microscopy, single-file diffusion and new approaches to molecular modeling.




Theory of Molecular Fluids


Book Description

Existing texts on liquid theory are limited to simple liquids of spherical molecules, but nearly all liquids of practical interest have molecules that are non-spherical, resulting in more diverse phenomena. This text is the first to provide the molecular theory for such liquids, and describes applications to a wide range of physical properties.




Adsorption by Carbons


Book Description

Adsorption by Carbons covers the most significant aspects of adsorption by carbons, attempting to fill the existing gap between the fields of adsorption and carbonaceous materials. Both basic and applied aspects are presented. The first section of the book introduces physical adsorption and carbonaceous materials, and is followed by a section concerning the fundamentals of adsorption by carbons. This leads to development of a series of theoretical concepts that serve as an introduction to the following section in which adsorption is mainly envisaged as a tool to characterize the porous texture and surface chemistry of carbons. Particular attention is paid to some novel nanocarbons, and the electrochemistry of adsorption by carbons is also addressed. Finally, several important technological applications of gas and liquid adsorption by carbons in areas such as environmental protection and energy storage constitute the last section of the book. - The first book to address the interplay between carbonaceous materials and adsorption - Includes important environmental applications, such as the removal of volatile organic compounds from polluted atmospheres - Covers both gas-solid and liquid-solid adsorption