Theoretical and Computational Approaches to Interface Phenomena

Author:   J.T. Golab ,  H.L. Sellers
Publisher:   Springer Science+Business Media
Edition:   1994 ed.
ISBN:  

9780306448997


Pages:   246
Publication Date:   28 February 1995
Format:   Hardback
Availability:   In Print   Availability explained
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Theoretical and Computational Approaches to Interface Phenomena


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Overview

"Many chemical processes that are important to society take place at boundaries between phases. Understanding these processes is critical in order for them to be subject to human control. The building of theoretical or computational models of them puts them into a theoretical framework in terms of which the behavior of the system can be understood on a detailed level. Theoretical and computational models are often capable of giving descriptions of interfacial phenomena that are more detailed, on a molecular level, than can be obtained through experimental observation. Advances in computer hardware have also made possible the treatment of larger and chemically more interesting systems. The study of interfacial phenomena is a multi-disciplinary endeavor which requires collaboration and communication among researchers in different fields and across different types of institutions. Because there are many important problems in this field much effort is being expended to understand these processes by industrial laboratories as well as by groups at universities. Our conference titled ""Theoretical and Computational Approaches to Interface Phenomena"" held at South Dakota State University, August 2-4, 1993 brought together over thirty scientists from industry and academia and three countries in the western hemisphere to discuss the modeling of interfacial phenomena."

Full Product Details

Author:   J.T. Golab ,  H.L. Sellers
Publisher:   Springer Science+Business Media
Imprint:   Kluwer Academic/Plenum Publishers
Edition:   1994 ed.
Dimensions:   Width: 17.80cm , Height: 1.60cm , Length: 25.40cm
Weight:   1.570kg
ISBN:  

9780306448997


ISBN 10:   0306448998
Pages:   246
Publication Date:   28 February 1995
Audience:   College/higher education ,  Professional and scholarly ,  Undergraduate ,  Postgraduate, Research & Scholarly
Format:   Hardback
Publisher's Status:   Active
Availability:   In Print   Availability explained
This item will be ordered in for you from one of our suppliers. Upon receipt, we will promptly dispatch it out to you. For in store availability, please contact us.

Table of Contents

Reaction Path Approach to Dynamics at a Gas-Solid Interface: Quantum Tunneling Effects for an Adatom on a non-rigid Metallic Surface.- Catalysis Modeling Employing Ab Initio and Bond Order Conservation — Morse Potential Methods.- Computer Simulations of Excitable Reaction-Diffusion Systems.- Molecular Dynamics Computer Simulations of Charged Metal Electrode — Aqueous Electrolyte Interfaces.- Molecular Dynamics Computer Simulations of Aqueous Solution/Platinum Interface.- Diffusion Mechanisms of Flexible Molecules on Metallic Surfaces.- Computer Simulation of Solvation in Supercritical Fluids.- Structure-Function Modeling in Blood Coagulation: Interfaces, Biology and Chemistry.- Domains and Superlattices in Self-Assembled Monolayers of Long-Chain Molecules.- Manipulating Wetting and Ordering at Interfaces by Adsorption of Impurities.- Density Functional Description of Metal-Metal and Metal-Ligand Bonds.- Density Functional Studies of Boron Substituted Zeolite ZSM-5.

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