000			02005 a2200229 4500
005			20171120145133.0
008			171113b xxu||||| |||| 00| 0 eng d
020			_a9780128050576
040			_cIITK
041			_aeng
082			_a620.11601 _bM72
245			_aModelling and simulation in the science of micro- and meso-porous materials _cedited by C. Richard A. Catlow, Veronique Van Speybroeck and Rutger A. van Santen
260			_aAmsterdam _bElsevier _c2018
300			_axxix, 340p
520			_aModelling 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 overview of the techniques currently utilized in this rapidly advancing field. It thoroughly addresses the major challenges in the field of microporous materials, including the crystallization mechanism of porous materials and rational synthesis of porous materials with controllable porous structures and compositions. New applications in emerging areas are also covered, including biomass conversion, C1 chemistry, and CO2 capture. Authored and edited by experts in the field of micro- and meso-porous materials Includes introductory material and background both on the science of microporous materials and on the techniques employed in contemporary modeling studies Rigorous enough for scientists conducting related research, but also accessible to graduate students in chemistry, chemical engineering, and materials science
650			_aMesoporous materials -- Computer simulation
650			_aMicrostructure -- Computer simulation
700			_aCatlow, C. Richard A. [ed.]
700			_aSpeybroeck, Veronique Van [ed.]
700			_aSanten, Rutger A. van [ed.]
942			_cBK
999			_c558239 _d558239