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Computer modelling of microporous materials /

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. The breadth of the field has, moreover, been extended in the last ten years by the disco...

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Bibliographic Details
Corporate Authors: Elsevier Science & Technology
Group Author: Catlow, C. R. A. Charles Richard Arthur, 1947; Santen, R. A. van Rutger A; Smit, B. J. Berend J., 1935
Published: Elsevier : Academic Press,
Publisher Address: Amsterdam ; Boston :
Publication Dates: 2004.
Literature type: eBook
Language: English
Edition: First edition.
Subjects:
Porous materials > Computer simulation
Microstructure > Computer simulation
Mate riaux poreux
TECHNOLOGY & ENGINEERING > Material Science
Electronic books
Online Access: http://www.sciencedirect.com/science/book/9780121641375
Summary: 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. The breadth of the field has, moreover, been extended in the last ten years by the discovery of the versatile and exciting ranges of mesoporous materials. Computational methods have a long and successful history of application in solid state and materials science, where they are indeed established tools in modelling structural and dynamic properties of the bulk and surfaces of solids
Item Description: Title from e-book title screen (viewed Nov. 15, 2007).
Carrier Form: 1 online resource (viii, 287 pages : illustrations)
Bibliography: Includes bibliographical references and index.
ISBN: 008047229X
9780080472294
9780121641375
0121641376
1280968281
9781280968280
Index Number: QC173
CLC: TB383-39
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. Vercauteren -- Dynamic Monte Carlo simulations of diffusion and reactions in zeolites / Frerich J. Keil and Marc-Olivier Coppens -- Planewave pseudopotential modelling studies of zeolites / Julian D. Gale -- Reaction mechanisms in protonic zeolites / Xavier Rozanska and Rutger A. van Santen -- Structure and reactivity

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