Computer modelling of microporous materials [Documento electrónico] / edited by C.R.A. Catlow, R.A. van Santen, B. Smit
Language: eng.Country: US - United States of America.Publication: Amsterdam : Boston : Elsevier, Academic Press, 2004Description: viii, 287 p.ISBN: 9780121641375.Subject - Topical Name: Materiais porosos, Simulação por computador | Microestruturas, Simulação por computador Online Resources:Click here to access onlineItem type | Current library | Collection | Call number | Copy number | Status | Date due | Barcode | |
---|---|---|---|---|---|---|---|---|
E-Books | Biblioteca NOVA FCT Online | Não Ficção | QC173.4.ELS FCT 85352 (Browse shelf(Opens below)) | 1 | Available |
Browsing Biblioteca NOVA FCT shelves, Shelving location: Online, Collection: Não Ficção Close shelf browser (Hides shelf browser)
QC151.SPR FCT 81846 Incompressible bipolar and non-newtonian viscous fluid flow | QC157.SPR FCT 81399 Symmetric discontinuous Galerkin methods for 1-D waves, Fourier analysis, propagation, observability and applications | QC172.5.SPR FCT 81269 Linear chaos | QC173.4.ELS FCT 85352 Computer modelling of microporous materials | QC173.4.SPR FCT 81364 Modelling and simulation in fluid dynamics in porous media | QC173.4.SPR FCT 81972 Frontiers and challenges in warm dense matter | QC173.4.SPR FCT 82291 Quadratura delle superficie e questioni connesse |
Colocação: Online
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; and where they are playing an increasingly important role in understanding reactivity. Their application to zeolite science developed strongly in the 1980's, with the initial successes in modelling structure and sorption, and with emerging capability in quantum mechanical methods. The field was reviewed over ten years, since then there have been major developments in techniques and of course the power of the available hardware, which have promoted a whole range of new applications to real complex problems 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. - 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 methods.
There are no comments on this title.