New method for determining the chemical-potential for condensed matter at high-density

Powles, J.G. and Holtz, B. and Evans, W.A.B. (1994) New method for determining the chemical-potential for condensed matter at high-density. Journal of Chemical Physics, 101 (9). pp. 7804-7810. ISSN 0021-9606. (The full text of this publication is not available from this repository)

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Official URL
http://dx.doi.org/10.1063/1.468417

Abstract

We apply a space-dependent external potential to the fluid such as to produce both a high density, virtually homogeneous, region and also a low density, not necessarily homogeneous, region. We easily measure the chemical potential in the low density region by Widom's fictitious-particle-insertion method by computer simulation. By constancy of the chemical potential the value is the same in the high density region, which is difficult to measure directly by this or any other method. The method has been tested for Lennard-Jones fluids, for which independent values of chemical potential at high density are known. The method is quite general and can be used for molecular liquids, polymer melts, mixtures, etc.

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: 10 Jun 2009 10:00
Last Modified: 28 May 2012 14:36
Resource URI: http://kar.kent.ac.uk/id/eprint/19956 (The current URI for this page, for reference purposes)
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