Molecular modeling and theory in chemical engineering

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Author(s): Arup Chakraborty
Series: Advances in Chemical Engineering 28
Publisher: Academic
Year: 2001

Language: English
Pages: 1-493
City: San Diego, Calif. ; London

Content:
Contributors
Pages xi-xii

Preface
Pages xiii-xiv
Arup K Chakraborty

Hyperparallel tempering Monte Carlo and its applications Review Article
Pages 1-20
Qiliang Yan, Juan J de Pablo

Theory of supercooled liquids and glasses: Energy landscape and statistical geometry perspectives Review Article
Pages 21-79
Pablo G Debenedetti, Thomas M Truskett, Catherine P Lewis, Frank H Stillinger

A statistical mechanical approach to combinational chemistry Review Article
Pages 81-121
Michael W Deem

Fluctuation effects in microemulsion reaction media Review Article
Pages 123-148
Venkat Ganesan, Glenn H Fredrickson

Molecular dynamics simulations of ion-surface interactions with applications to plasma processing Review Article
Pages 149-201
David B Graves, Cameron F Abrams

Characterization of porous materials using molecular theory and simulation Review Article
Pages 203-250
Christian M Lastoskie, Keith E Gubbins

Modeling of radical-surface interactions in the plasma-enhanced chemical vapor deposition of silicon thin films Review Article
Pages 251-296
Dimitrios Maroudas

Nanostructure formation and phase separation in surfactant solutions Review Article
Pages 297-311
Sanat K Kumar, M.Antonio Floriano, Athanassios Z Panagiotopoulos

Some chemical engineering applications of quantum chemical calculations Review Article
Pages 313-351
Stanley I. Sandler, Amadeu K. Sum, Shiang-Tai Lin

Car-Parrinello methods in chemical engineering: Their scope and potential Review Article
Pages 353-397
Bernhardt L Trout

Theory of zeolite catalysis Review Article
Pages 399-437
R.A. van Santen, X. Rozanska

Morphology, fluctuation, metastability, and kinetics in ordered block copolymers Review Article
Pages 439-463
Zhen-Gang Wang

Index
Pages 465-485

Contents of volumes in this serial
Pages 487-493