Cover of: Computer Modelling of Microporous Materials | Read Online
Share

Computer Modelling of Microporous Materials

  • 552 Want to read
  • ·
  • 66 Currently reading

Published by Academic Press .
Written in English


Book details:

Edition Notes

ContributionsC.R.A. Catlow (Editor), R.A. van Santen (Editor), B. Smit (Editor)
The Physical Object
Number of Pages298
ID Numbers
Open LibraryOL7326074M
ISBN 100121641376
ISBN 109780121641375

Download Computer Modelling of Microporous Materials

PDF EPUB FB2 MOBI RTF

Computer Modelling of Microporous Materials [d A. Catlow, Berend Smit, R.A. van Santen] on *FREE* shipping on qualifying offers. Microporous materials, including both zeolites and aluminophosphates are amongst the most fascinating classes of materials5/5(1). ISBN: OCLC Number: Description: viii, pages: illustrations ; 24 cm: Contents: Static lattice modelling and structure prediction of micro- and mesoporous materials / C.R.A. Catlow, R.G. Bell and B. Slater --Adsorption phenomena in microporous materials / B. Smit --Dynamics of sorbed molecules in zeolites / Scott M. Auerbach, Fabien Jousse and Daniel P. Get this from a library! Computer modelling of microporous materials. [C R A Catlow; R A van Santen; B J Smit;] -- Microporous materials, including both zeolites and aluminophosphates are amongst the most fascinating classes of materials, with wide ranging important applications in catalysis, gas separation and. Request PDF | Computer Modelling of Microporous Materials | Microporous materials, including both zeolites and aluminophosphates are amongst the most fascinating classes of materials, with wide.

Computer simulation techniques are now having a major impact on almost all areas of the physical and biological sciences. This book concentrates on the application of these methods to inorganic materials, including topical and industrially relevant systems including zeolites and high Tc superconductors. This book aims to summarise and illustrate the current capabilities of atomistic computer modelling methods in this growing field. - Details advances in the rapidly expanding field of microporous materials. - Summarises key current techniques in this type of modelling. - Illustrates the current capabilities of atomistic computer modelling by: Computer simulation techniques are now having a major impact on almost all areas of the physical and biological sciences. This book concentrates on the application of these methods to inorganic materials, including topical and industrially relevant systems including zeolites and high Tc : d A. Catlow. Template-based geometric simulation is a specialised method for modelling flexible framework structures made up of rigid units. We review the background, development and implementation of the method, and its applications to the study of framework materials such as zeolites and perovskites.

C. R. A. Catlow, R. A. van Santen, and B. Smit (editors) Computer modeling of micorporous materials, edited by (Elsevier, Amsterdam, ). Microporous materials, including both zeolites and aluminophosphates are amongst the most fascinating classes of materials, with wide ranging important applications in catalysis, gas separation and ion exchange. 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 . in the science of microporous materials. This book aims to summarise and illustrate the current capabilities of atomistic computer modelling methods in this growing field. Atomistic simulation methods can be divided into two very broad categories. The first rests on the use of .   • Modelling materials for energy conversion applications: fuel cells, heterogeneous catalysis and solid-state lighting • Nanostructures for energy applications This full colour text is an accessible introduction for newcomers to the field, and a valuable reference source for experienced researchers working on computational techniques and.