James Wei, Morton M. Denn, John H. Seinfeld, Arup Chakraborty, Jackie Ying, Nicholas Peppas, George Stephanopoulos978-0-12-008528-6

In recent years chemical engineers have become increasingly involved in the design and synthesis of new materials and products as well as the development of biological processes and biomaterials. Such applications often demand that product properties be controlled with precision. Molecular modeling, simulating chemical and molecular structures or processes by computer, aids scientists in this endeavor. Volume 28 of Advances in Chemical Engineering presents discussions of theoretical and computational methods as well as their applications to specific technologies.

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Table of contents :
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