The chemical-potential in atomically inhomogeneous fluids in external force fields by computer-simulation

Powles, Jack G. and Baker, S.E. and Evans, Andy (1994) The chemical-potential in atomically inhomogeneous fluids in external force fields by computer-simulation. Journal of Chemical Physics, 101 (5). pp. 4098-4102. ISSN 0021-9606. (The full text of this publication is not available from this repository)

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Abstract

The accuracy and practicality of the Widom fictitious-particle insertion method for determining the chemical potential is tested for very inhomogeneous fluids in strong external potentials by a series of molecular dynamics computer simulations. The chemical potential determined in this way is found, as predicted, on an atomic scale to be independent of position in the fluid to a few percent even when the density varies by up to a factor 80. This severe test means that this method of determining chemical potential is established as reliable and accurate in any well-found computer simulation even when the system is very inhomogeneous.

Item Type: Article
Subjects: Q Science > QC Physics
Divisions: Faculties > Science Technology and Medical Studies > School of Physical Sciences
Depositing User: O.O. Odanye
Date Deposited: 16 Jun 2009 01:18
Last Modified: 23 Jun 2014 14:40
Resource URI: http://kar.kent.ac.uk/id/eprint/19955 (The current URI for this page, for reference purposes)
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