Theoretical and Computational Approaches to Interface Phenomena

  • Harrell Lee Sellers
  • Joseph Thomas Golab

Table of contents

  1. Front Matter
    Pages i-x
  2. Mark R. Hoffmann, Sean P. Müller
    Pages 57-73
  3. Gregory S. Anderson, Kristen M. Hegvik, Mark R. Hoffmann
    Pages 131-137
  4. Donald J. Olbris, Yitzhak Shnidman
    Pages 161-185
  5. D. R. Salahub, M. Castro, R. Fournier, P. Calaminici, N. Godbout, A. Goursot et al.
    Pages 187-218
  6. Mark S. Stave, John B. Nicholas
    Pages 219-243
  7. Back Matter
    Pages 245-246

About this book


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.


ITIES Ion adsorption catalysis electrolyte metals modeling platinum silver structure supercritical fluid

Editors and affiliations

  • Harrell Lee Sellers
    • 1
  • Joseph Thomas Golab
    • 2
  1. 1.South Dakota State UniversityBrookingsUSA
  2. 2.Amoco Research CenterNapervilleUSA

Bibliographic information

Industry Sectors
Chemical Manufacturing