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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 84, 1995 - Issue 2
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Original Articles

Vapour-liquid equilibria of two-centre Lennard-Jones fluids from the NpT plus test particle method

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Pages 381-394 | Received 19 Aug 1994, Accepted 07 Oct 1994, Published online: 22 Aug 2006
 

Abstract

Vapour-liquid phase equilibria (VLE) are determined from the NpT plus test particle method for two-centre Lennard-Jones fluids of elongations L* = 0·22, 0·3292, 0·505, and 0·67. The resulting vapour pressures as well as the saturated vapour and liquid densities are correlated by simple equations. The thermodynamic consistency of the VLE data is confirmed on the basis of the Clausius-Clapeyron equation. Comparison is made with results from previous simulations, and from perturbation theory.

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