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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 77, 1992 - Issue 6
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Original Articles

Effect of a density-dependent potential on the phase behaviour of fluids

B. Smith Koninklijke/Shell-Laboratorium, Amsterdam (Shell Research B.V.), PO Box 3003, 1003 AA, Amsterdam, The Netherlands; Department of Chemistry, University of California, Berkeley, California, 94720, USA
,
T. Hauschild Chemical Engineering Department and Chemical Science Division, Lawrence Berkeley Laboratory, University of California, Berkeley, California, 94720, USA
&
J.M. Prausnitz Chemical Engineering Department and Chemical Science Division, Lawrence Berkeley Laboratory, University of California, Berkeley, California, 94720, USA
Pages 1021-1031 | Received 14 May 1992, Accepted 31 May 1992, Published online: 19 Aug 2006
 
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Abstract

This work studies the effect of density-dependent potentials on the phase behaviour of fluids. For a particular class of density-dependent potentials, the equation of state has a simple relation to the equation of state of a reference fluid with a density-independent potential. This relation is illustrated by computer simulations of a fluid with density-dependent Lennard-Jones potential. Density-dependent potentials can be used in the Gibbs ensemble; this work presents the appropriate expressions for the pressure and chemical potential.

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