Hostname: page-component-78c5997874-j824f Total loading time: 0 Render date: 2024-11-17T14:53:40.771Z Has data issue: false hasContentIssue false
  • English
  • Français

Simulation of Desorption Kinetics at a Liquid-Solid Interface

Published online by Cambridge University Press:  10 February 2011

T. W. Scott
T. W. Scott*
Affiliation:
Molecular Dynamics, Inc. Wharton, New Jersey 07885, [email protected]
Get access

Abstract

Molecular dynamics simulations are reported for the atomic motion of adsorbates at a liquid-solid interface. The rate for physical desorption is analyzed using the potential of mean force to describe adsorbate and transition state energies.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 451: Symposium P – Electrochemical Synthesis and Modification , 1996 , 115
Copyright
Copyright © Materials Research Society 1997

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1. Schoen, M., Computer Simulation of Condensed Phases in Complex Geometries. Springer-Verlog, Berlin, 1993.Google Scholar
2. Beutler, T. C. and van Gunsteren, W. F., J. Chem. Phys. 100, p. 1492 (1994).Google Scholar
3. Lazardis, T., Tobias, D. J., Brooks, C. L. III and Paulaitis, M. E., J. Chem. Phys. 95, p.7612 (1991).Google Scholar
4. Haile, J.M., Molecular Dynamics Simulation. John Wiley, 1992, pp. 160–163.Google Scholar
5. Israelachvili, J. N., Intermolecular & Surface Forces. Academic Press, 1992, pp. 155–157.Google Scholar
6. Allen, M.P. and Tildesley, D.J., Computer Simulation of Liquids. Clarendon Press, Oxford, 1994, p. 21.Google Scholar
7. Chandler, D., Modern Stastical Mechanics,, Oxford University Press, 1987, pp. 201–202.Google Scholar