Modelling And Simulation In The Science Of Micro And Meso Porous Materials
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Modelling And Simulation In The Science Of Micro And Meso Porous Materials
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Author : C.Richard A. Catlow
language : en
Publisher: Elsevier
Release Date : 2017-09-20
Modelling And Simulation In The Science Of Micro And Meso Porous Materials written by C.Richard A. Catlow and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-09-20 with Technology & Engineering categories.
Modelling and Simulation in the Science of Micro- and Meso-Porous Materials addresses significant developments in the field of micro- and meso-porous science. The book includes sections on Structure Modeling and Prediction, Synthesis, Nucleation and Growth, Sorption and Separation processes, Reactivity and Catalysis, and Fundamental Developments in Methodology to give a complete overview of the techniques currently utilized in this rapidly advancing field. It thoroughly addresses the major challenges in the field of microporous materials, including the crystallization mechanism of porous materials and rational synthesis of porous materials with controllable porous structures and compositions. New applications in emerging areas are also covered, including biomass conversion, C1 chemistry, and CO2 capture. Authored and edited by experts in the field of micro- and meso-porous materials Includes introductory material and background both on the science of microporous materials and on the techniques employed in contemporary modeling studies Rigorous enough for scientists conducting related research, but also accessible to graduate students in chemistry, chemical engineering, and materials science
Handbook Of Porous Materials Synthesis Properties Modeling And Key Applications In 4 Volumes
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Author :
language : en
Publisher: World Scientific
Release Date : 2020-10-20
Handbook Of Porous Materials Synthesis Properties Modeling And Key Applications In 4 Volumes written by and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-10-20 with Science categories.
This four-volume handbook gives a state-of-the-art overview of porous materials, from synthesis and characterization and simulation all the way to manufacturing and industrial applications. The editors, coming from academia and industry, are known for their didactic skills as well as their technical expertise. Coordinating the efforts of 37 expert authors in 14 chapters, they construct the story of porous carbons, ceramics, zeolites and polymers from varied viewpoints: surface and colloidal science, materials science, chemical engineering, and energy engineering. Volumes 1 and 2 cover the fundamentals of preparation, characterisation, and simulation of porous materials. Working from the fundamentals all the way to the practicalities of industrial production processes, the subjects include hierarchical materials, in situ and operando characterisation using NMR, X-Ray scattering and tomography, state-of-the-art molecular simulations of adsorption and diffusion in crystalline nanoporous materials, as well as the emerging areas of bio-artificing and drug delivery. Volume 3 focuses on porous materials in industrial separation applications, including adsorption separation, membrane separation, and osmotic distillation. Finally, and highly relevant to tomorrow's energy challenges, Volume 4 explains the energy engineering aspects of applying porous materials in supercapacitors, fuel cells, batteries, electrolysers and sub-surface energy applications.The text contains many high-quality colourful illustrations and examples, as well as thousands of up-to-date references to peer-reviewed articles, reports and websites for further reading. This comprehensive and well-written handbook is a must-have reference for universities, research groups and companies working with porous materials.Related Link(s)
Computer Simulation Of Porous Materials
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Author : Kim Jelfs
language : en
Publisher: Royal Society of Chemistry
Release Date : 2021-08-31
Computer Simulation Of Porous Materials written by Kim Jelfs and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-08-31 with Technology & Engineering categories.
Computer Simulation of Porous Materials covers the key approaches in the modelling of porous materials, with a focus on how these can be used for structure prediction and to either rationalise or predict a range of properties including sorption, diffusion, mechanical, spectroscopic and catalytic. The book covers the full breadth of (micro)porous materials, from inorganic (zeolites), to organic including porous polymers and porous molecular materials, and hybrid materials (metal-organic frameworks). Through chapters focusing on techniques for specific types of applications and properties, the book outlines the challenges and opportunities in applying approaches and methods to different classes of systems, including a discussion of high-throughput screening. There is a strong forward-looking focus, to identify where increased computer power or artificial intelligence techniques such as machine learning have the potential to open up new avenues of research. Edited by a world leader in the field, this title provides a valuable resource for not only computational researchers, but also gives an overview for experimental researchers. It is presented at a level accessible to advanced undergraduates, postgraduates and researchers wishing to learn more about the topic.
Computational Chemistry Methods
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Author : Ponnadurai Ramasami
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2020-08-10
Computational Chemistry Methods written by Ponnadurai Ramasami 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 2020-08-10 with Science categories.
This book reviews a variety of methods in computational chemistry and their applications in different fields of current research. Ab initio methods and regression analyses are discussed with special focus on their application to investigate chemical structures as for example dyes or drug compounds. Further topics are the use of computational methods in the modeling of spectroscopic data or to study reaction mechanisms.
Modeling And Mechanics Of Granular And Porous Materials
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Author : Gianfranco Capriz
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Modeling And Mechanics Of Granular And Porous Materials written by Gianfranco Capriz and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Technology & Engineering categories.
Soils are complex materials: they have a particulate structure and fluids can seep through pores, mechanically interacting with the solid skeleton. Moreover, at a microscopic level, the behaviour of the solid skeleton is highly unstable. External loadings are in fact taken by grain chains which are continuously destroyed and rebuilt. Many issues of modeling, even of the physical details of the phenomena, remain open, even obscure; de Gennes listed them not long ago in a critical review. However, despite physical complexities, soil mechanics has developed on the assumption that a soil can be seen as a continuum, or better yet as a medium obtained by the superposition of two and sometimes three con and the other fluids, which occupy the same portion of tinua, one solid space. Furthermore, relatively simple and robust constitutive laws were adopted to describe the stress-strain behaviour and the interaction between the solid and the fluid continua. The contrast between the intrinsic nature of soil and the simplistic engi neering approach is self-evident. When trying to describe more and more sophisticated phenomena (static liquefaction, strain localisation, cyclic mo bility, effects of diagenesis and weathering, ..... ), the nalve description of soil must be abandoned or, at least, improved. Higher order continua, incrementally non-linear laws, micromechanical considerations must be taken into account. A new world was opened, where basic mathematical questions (such as the choice of the best tools to model phenomena and the proof of the well-posedness of the consequent problems) could be addressed.
Catalysis In Chemistry And Biology
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Author : Wuthrich Kurt
language : en
Publisher: World Scientific
Release Date : 2018-06-19
Catalysis In Chemistry And Biology written by Wuthrich Kurt and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-06-19 with Science categories.
The Proceedings of the 24th International Solvay Conference on Chemistry comprise contributed short personal statements and transcripts of in-depth discussions on 'Catalysis in Chemistry and Biology' from a by-invitation-only select group of 48 eminent scientists, including four Nobel Laureates, from all parts of the world. The theme of the conference was presented in six sessions, along which the Proceedings are organized. The first session on 'Homogeneous Catalysis,' chaired by Professor Robert Grubbs, is devoted to basic research on catalysis in homogeneous solutions and applications thereof. 'Heterogeneous Catalysis and Characterization of Catalyst Surfaces,' chaired by Professor Gerhard Ertl, includes extensive references to industrial applications of catalysis on solid supports, and discussions on the experimental techniques used in this field. 'Catalysis by Microporous Materials,' chaired by Professor Mark E. Davis, is devoted to a detailed characterization of this particular class of solid support catalysts, with special emphasis on model analysis of the processes catalyzed by these materials. 'Catalysis under Extreme Conditions: Studies at High Pressure and High Temperatures -- Relations with Processes in Nature,' chaired by Professor Henk N W Lekkerkerker, broadens the scope of the two preceding sessions with exciting illustrations. The sessions on 'Catalysis by Protein Enzymes,' chaired by Prof. JoAnne Stubbe, and 'Catalysis by Ribozymes in Molecular Machines,' chaired by Prof. David Lilley, present at the same time an exciting extension of and a contrast to the initial four sessions. The combination of the six sessions provides an impressive overview, giving innovative insights into relationships between catalysis in chemical processes and in biological systems, and a unique outlook to anticipated developments in the coming years and the more distant future.
Nanoporous Materials Science And Engineering
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Author : G Q Max Lu
language : en
Publisher: World Scientific
Release Date : 2004-11-22
Nanoporous Materials Science And Engineering written by G Q Max Lu and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-11-22 with Technology & Engineering categories.
Porous materials are of scientific and technological importance because of the presence of voids of controllable dimensions at the atomic, molecular, and nanometer scales, enabling them to discriminate and interact with molecules and clusters. Interestingly the big deal about this class of materials is about the “nothingness” within — the pore space. International Union of Pure and Applied Chemistry (IUPAC) classifies porous materials into three categories — micropores of less than 2 nm in diameter, mesopores between 2 and 50 nm, and macropores of greater than 50 nm. In this book, nanoporous materials are defined as those porous materials with pore diameters less than 100 nm.Over the last decade, there has been an ever increasing interest and research effort in the synthesis, characterization, functionalization, molecular modeling and design of nanoporous materials. The main challenges in research include the fundamental understanding of structure-property relations and tailor-design of nanostructures for specific properties and applications. Research efforts in this field have been driven by the rapid growing emerging applications such as biosensor, drug delivery, gas separation, energy storage and fuel cell technology, nanocatalysis and photonics. These applications offer exciting new opportunities for scientists to develop new strategies and techniques for the synthesis and applications of these materials.This book provides a series of systematic reviews of the recent developments in nanoporous materials. It covers the following topics: (1) synthesis, processing, characterization and property evaluation; (2) functionalization by physical and/or chemical treatments; (3) experimental and computational studies on fundamental properties, such as catalytic effects, transport and adsorption, molecular sieving and biosorption; (4) applications, including photonic devices, catalysis, environmental pollution control, biological molecules separation and isolation, sensors, membranes, hydrogen and energy storage, etc./a
Microporous Media
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Author : Freddy Romm
language : en
Publisher: CRC Press
Release Date : 2004-03-29
Microporous Media written by Freddy Romm and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-03-29 with Science categories.
Microporous Media presents new developments from nearly a decade of advancement. Written by a leading researcher in the field, this reference provides examples of the most original scientific and technical research impacting studies in porosity and microporosity, and illustrates methods to forecast the properties of microporous structures for improved electronic, construction, electrical, chemical, and medical applications. The book outlines new results in fractal, self-organization, and polymer theories; pore aging, and percolation; and their various engineering applications, and considers the impact of preparation conditions on the structure and properties of microporous materials.
Modeling And Mechanics Of Granular And Porous Materials
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Author : Gianfranco Capriz
language : en
Publisher: Birkhäuser
Release Date : 2012-10-23
Modeling And Mechanics Of Granular And Porous Materials written by Gianfranco Capriz and has been published by Birkhäuser this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-10-23 with Technology & Engineering categories.
Soils are complex materials: they have a particulate structure and fluids can seep through pores, mechanically interacting with the solid skeleton. Moreover, at a microscopic level, the behaviour of the solid skeleton is highly unstable. External loadings are in fact taken by grain chains which are continuously destroyed and rebuilt. Many issues of modeling, even of the physical details of the phenomena, remain open, even obscure; de Gennes listed them not long ago in a critical review. However, despite physical complexities, soil mechanics has developed on the assumption that a soil can be seen as a continuum, or better yet as a medium obtained by the superposition of two and sometimes three con and the other fluids, which occupy the same portion of tinua, one solid space. Furthermore, relatively simple and robust constitutive laws were adopted to describe the stress-strain behaviour and the interaction between the solid and the fluid continua. The contrast between the intrinsic nature of soil and the simplistic engi neering approach is self-evident. When trying to describe more and more sophisticated phenomena (static liquefaction, strain localisation, cyclic mo bility, effects of diagenesis and weathering, ..... ), the nalve description of soil must be abandoned or, at least, improved. Higher order continua, incrementally non-linear laws, micromechanical considerations must be taken into account. A new world was opened, where basic mathematical questions (such as the choice of the best tools to model phenomena and the proof of the well-posedness of the consequent problems) could be addressed.
Characterisation Of Porous Solids Viii
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Author : Nigel Seaton
language : en
Publisher: Royal Society of Chemistry
Release Date : 2009-03-10
Characterisation Of Porous Solids Viii written by Nigel Seaton and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-03-10 with Technology & Engineering categories.
This unique book is the Proceedings of the 8th International Symposium on the Characterisation of Porous Solids, known also as "COPS VIII". The conference is one of a series, held every three years, which covers developments in methods for the characterisation of porous materials, and applications of those methods. The scope of the conference: COPS VIII is concerned with fundamental and applied research on the characterisation of the structure of porous materials, and the relationship between structure and material performance. The scope includes experimental characterisation methods such as X-Ray diffraction, NMR, adsorption, mercury intrusion, and calorimetry; theoretical and simulation methods used to interpret experimental data, such as molecular simulation, classical and statistical mechanical theory, and pore network modelling; and applied research on the impact of measured material properties on performance in applications.