Vapour-liquid equilibria of two-centre Lennard-Jones fluids from the NpT plus test particle method
- 10 February 1995
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 84 (2), 381-394
- https://doi.org/10.1080/00268979500100261
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.Keywords
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