Computer Simulation Of Porous Materials
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Computer Simulation of Porous Materials
Author: Kim E. Jelfs
language: en
Publisher: Royal Society of Chemistry
Release Date: 2021-09-08
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
Author: Kim Jelfs
language: en
Publisher: Royal Society of Chemistry
Release Date: 2021-08-31
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.
Numerical Analysis of Heat and Mass Transfer in Porous Media
Author: J.M.P.Q. Delgado
language: en
Publisher: Springer Science & Business Media
Release Date: 2012-06-25
The purpose of ‘Numerical Analysis of Heat and Mass Transfer in Porous Media’ is to provide a collection of recent contributions in the field of computational heat and mass transfer in porous media. The main benefit of the book is that it discusses the majority of the topics related to numerical transport phenomenon in engineering (including state-of-the-art and applications) and presents some of the most important theoretical and computational developments in porous media and transport phenomenon domain, providing a self-contained major reference that is appealing to both the scientists, researchers and the engineers. At the same time, these topics encounter of a variety of scientific and engineering disciplines, such as chemical, civil, agricultural, mechanical engineering, etc. The book is divided in several chapters that intend to be a resume of the current state of knowledge for benefit of professional colleagues.