Modelling and Simulation in the Science of Micro- and Meso-Porous Materials PDF Download
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Author: C.Richard A. Catlow
Publisher: Elsevier
ISBN: 0128050586
Category : Technology & Engineering
Languages : en
Pages : 372
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Book Description
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
Author: C.Richard A. Catlow
Publisher: Elsevier
ISBN: 0128050586
Category : Technology & Engineering
Languages : en
Pages : 372
Get Book Here
Book Description
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
Author: Freddy Romm
Publisher: CRC Press
ISBN: 0203025733
Category : Science
Languages : en
Pages : 406
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Book Description
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 impro
Author: Ulrich Hornung
Publisher: Springer Science & Business Media
ISBN: 1461219205
Category : Mathematics
Languages : en
Pages : 290
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Book Description
This book offers a systematic, rigorous treatment of upscaling procedures related to physical modeling for porous media on micro-, meso- and macro-scales, including detailed studies of micro-structure systems and computational results for dual-porosity models.
Author:
Publisher: World Scientific
ISBN: 9811223246
Category : Science
Languages : en
Pages : 1495
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Book Description
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)
Author: Kim E. Jelfs
Publisher: Royal Society of Chemistry
ISBN: 1788019008
Category : Computers
Languages : en
Pages : 325
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Book Description
This book covers key approaches in the modelling of porous materials, with a focus on how these can be used for structure prediction and to rationalise or predict a range of properties.
Author: H.O. Kirchner
Publisher: Springer
ISBN: 9789401072274
Category : Science
Languages : en
Pages : 604
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Book Description
This volume collects the contributions to the NATO Advanced Study Institute (ASI); "Computer Simulation in Materials Science -NanolMesolMacroscopic Space and Time Scales", held on lIe d'OIeron (France) June 6-16, 1995.1his event was intended to present the state of the art in simulation techniques in Materials Science. For decades to come the limits of computing power will not allow for atomistic simulations of macroscopic specimens. Simulations can only be performed on various scales (nano, meso, micro, macro) with the constitutive input provided by simulations (or data) on the next smaller scale. The resulting hierarchy has been the main topic of many of lectures and seminars. Necessarily, special emphasis was placed on mesoscopic simulations bridging the gaps between nano (atomic) and micro space and time scales. During the ASI, lecturers and participants did not only consider fundamental problems, but also applications. Papers on the evolution of morphological patterns in phase transformations and plastic deformation, irradiation effects, mass transport and mechanical properties of materials in general, highlighted what has already been achieved. It was concluded that computer simulations must be based on realistic and efficient models, the fundamental equations controlling the dynamical evolution of microstructures, stochastic field kinetic models being a case in point.
Author: Michel Rappaz
Publisher: Springer Science & Business Media
ISBN: 3642118216
Category : Technology & Engineering
Languages : en
Pages : 544
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Book Description
Computing application to materials science is one of the fastest-growing research areas. This book introduces the concepts and methodologies related to the modeling of the complex phenomena occurring in materials processing. It is intended for undergraduate and graduate students in materials science and engineering, mechanical engineering and physics, and for engineering professionals or researchers.
Author: Pablo Andrés Muñoz-Rojas
Publisher: Springer
ISBN: 3319042653
Category : Science
Languages : en
Pages : 392
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Book Description
This volume presents recent research work focused in the development of adequate theoretical and numerical formulations to describe the behavior of advanced engineering materials. Particular emphasis is devoted to applications in the fields of biological tissues, phase changing and porous materials, polymers and to micro/nano scale modeling. Sensitivity analysis, gradient and non-gradient based optimization procedures are involved in many of the chapters, aiming at the solution of constitutive inverse problems and parameter identification. All these relevant topics are exposed by experienced international and inter institutional research teams resulting in a high level compilation. The book is a valuable research reference for scientists, senior undergraduate and graduate students, as well as for engineers acting in the area of computational material modeling.
Author: Stefan Kaskel
Publisher: Royal Society of Chemistry
ISBN: 1847559042
Category : Science
Languages : en
Pages : 459
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Book Description
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.
Author: Kozo Ishizaki
Publisher: Springer Science & Business Media
ISBN: 1461558115
Category : Technology & Engineering
Languages : en
Pages : 249
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Book Description
Approximately four million years of human history has passed. We have been using materials to make a variety of tools. The first materials used were naturally occurring materials such as animal bones, stones, wood etc.; and some of these familiar materials are porous. Porous materials are so familiar that they are sometimes forgotten or ignored. The taste experience of ice cream is created not only by adjusting ingre dients, but also by including air as an ingredient, i.e. pores that give the smooth texture of ice cream. This book is designed to describe and explain about pores, the synthesis of materials with pores (porous materials), and applications of porous materi als. This book is intended for engineers and scientists of different disciplines and specialities, and is expected to be useful in the design and synthesis of porous materials for existing as well as potential new applications. Let us rediscover pores. K. Ishizaki, S. Komameni and M. Nanko January 1998 1 Introduction 1.1 WHAT ARE POROUS MATERIALS? Porous materials are dermed as solids containing pores. Figure 1.1 shows different porous materials. Generally speaking, porous materials have a porosity of 0.2-0.95. The porosity means the fraction of pore volume to the total volume. Porous materials have been used in various applications from daily necessities, such as purifying drinking water by activated carbon or porous ceramics, to uses in modern industries, for example removing dusts from high purity process gases for semiconductor production.
