Computer Simulation of Porous Materials

Computer Simulation of Porous Materials PDF 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.

Computer Simulation of Porous Materials

Computer Simulation of Porous Materials PDF 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.

Porous Materials

Porous Materials PDF Author: Juan Carlos Moreno-Piraján
Publisher: Springer Nature
ISBN: 3030659917
Category : Technology & Engineering
Languages : en
Pages : 374

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Book Description
This book is written in honor of Prof. Francisco Rodriguez-Reinoso, who has made significant contributions in the area of porous materials such as active carbons and graphenes. It details the preparation of porous materials, including carbonaceous, zeolitic, and siliceous materials, MOFs, aerogels, and xerogels, describing the characterization techniques and the interpretation of the results, and highlighting common errors that can occur during the process. This book subsequently presents the use of modeling based on thermodynamics to describe the materials. Lastly, it illustrates a number of current environmental protection applications in the context of both water and air.

Computer Simulation of Porous Materials

Computer Simulation of Porous Materials PDF Author: Kim Jelfs
Publisher: Royal Society of Chemistry
ISBN: 1839163321
Category : Technology & Engineering
Languages : en
Pages : 280

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Book Description
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.

Adsorption and Diffusion

Adsorption and Diffusion PDF 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.

Porous Media

Porous Media PDF Author: Wolfgang Ehlers
Publisher: Springer Science & Business Media
ISBN: 3662049996
Category : Technology & Engineering
Languages : en
Pages : 459

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Book Description
The present volume offers a state-of-the-art report on the various recent sci entific developments in the Theory of Porous Media (TPM) comprehending the basic theoretical concepts in continuum mechanics on porous and mul tiphasic materials as well as the wide range of experimental and numerical applications. Following this, the volume does not only address the sophisti cated reader but also the interested beginner in the area of Porous Media by presenting a collection of articles. These articles written by experts in the field concern the fundamental approaches to multiphasic and porous materials as well as various applications to engineering problems. In many branches of engineering just as in applied natural sciences like bio- and chemomechanics, one often has to deal with continuum mechanical problems which cannot be uniquely classified within the well-known disci plines of either "solid mechanics" or "fluid mechanics". These problems, characterized by the fact that they require a unified treatment of volumetri cally coupled solid-fluid aggregates; basically fall into the categories of either mixtures or porous media. Following this, there is a broad variety of problems ranging in this category as for example the investigation of reacting fluid mix tures or solid-fluid suspensions as well as the investigation of the coupled solid deformation and pore-fluid flow behaviour of liquid- and gas-saturated porous solid skeleton materials like geomaterials (soil, rock, concrete, etc. ), polymeric and metallic foams or biomaterials (hard and soft tissues, etc).

Handbook of Porous Materials

Handbook of Porous Materials PDF Author: Vitaly Gitis
Publisher: Materials and Energy
ISBN: 9789811223228
Category : Science
Languages : en
Pages : 0

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Book Description
This four-volume handbook gives a state-of-the-art overview of porous materials, from synthesis and characterization all the way to manufacturing and industrial applications.

Science in the Age of Computer Simulation

Science in the Age of Computer Simulation PDF Author: Eric Winsberg
Publisher: University of Chicago Press
ISBN: 0226902048
Category : Computers
Languages : en
Pages : 166

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Book Description
"Digital computer simulation helps study phenomena of great complexity, but how much do we know about the limits and possibilities of this new scientific practice? How do simulations compare to traditional experiments? And are they reliable? Scrutinizing these issues with a philosophical lens, Eric Winsberg explores the impact of simulation on such issues as the nature of scientific evidence, the role of values in science, the nature and role of fictions in science, and the relationship between simulation and experiment, theories and data, and theories at different levels of description"--Cover.

Handbook Of Porous Materials: Synthesis, Properties, Modeling And Key Applications (In 4 Volumes)

Handbook Of Porous Materials: Synthesis, Properties, Modeling And Key Applications (In 4 Volumes) PDF 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)

Convection in Porous Media

Convection in Porous Media PDF Author: D.A. Nield
Publisher: Springer Science & Business Media
ISBN: 0387334319
Category : Technology & Engineering
Languages : en
Pages : 655

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Book Description
This new edition includes nearly 1000 new references.

Capillary transport processes in porous materials - experiment and model

Capillary transport processes in porous materials - experiment and model PDF Author: Nicolas Fries
Publisher: Cuvillier Verlag
ISBN: 3736935072
Category : Technology & Engineering
Languages : en
Pages : 190

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Book Description