Powles, J.G. and Baker, S.E. and Evans, W.A.B. (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.
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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.
|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:||28 May 2012 14:35|
|Resource URI:||http://kar.kent.ac.uk/id/eprint/19955 (The current URI for this page, for reference purposes)|
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