Molecular Modeling and Theory in Chemical Engineering

Arup Chakraborty

350 pages, parution le 15/01/2002

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Résumé

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.

Molecular Modeling and Theory in Chemical Engineering presents discussions of theoretical and computational methods as well as their applications to specific technologies such as catalysis, microstructured polymeric materials, biological materials, directed evolution of proteins, microelectronics processing, and combinatorial chemistry.

This paperback volume serves as a handy, essential reference for the practicing chemical engineer, chemist, or materials scientist interested in learning about current capabilities of theory and computation in complementing experimental research aimed toward the design of new products.

Contents

Contributors

Preface

Hyperparallel Tempering Monte Carlo and Its Applications

Theory of Supercooled Liquids and Glasses : Energy Landscape and Statistical Geometry Perspectives

A Statistical Mechanical Approach to Combinatorial Chemistry

Fluctuation Effects in Microemulsion Reaction Media

Molecular Dynamics Simulations of Ion-Surface Interactions with Applications to Plasma Processing

Characterization of Porous Materials Using Molecular Theory and Simulation

Modeling of Radical-Surface Interactions in the Plasma-Enhanced Chemical Vapor Deposition of Silicon Thin Films

Nanostructure Formation and Phase Separation in Surfactant Solutions

Some Chemical Engineering Applications of Quantum Chemical Calculations

Car-Parrinello Methods in Chemical Engineering : Their Scope and Potential

Theory of Zeolite Catalysis

Morphology, Fluctuation, Metastability, and Kinetics in Ordered Block Copolymers

Index

Contents of Volumes in this Serial

Caractéristiques techniques

	PAPIER
Éditeur(s)	Academic Press
Auteur(s)	Arup Chakraborty
Parution	15/01/2002
Nb. de pages	350
Format	15,2 x 22,8
Couverture	Broché
Poids	697g
Intérieur	Noir et Blanc
EAN13	9780127432748
ISBN13	978-0-12-743274-8