Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
204039 | Fluid Phase Equilibria | 2007 | 7 Pages |
Abstract
Monte Carlo simulations in the NVT ensemble have been performed for fluids of hard spheres plus attractive inverse power tails, to obtain the radial distribution function, the equation of state and the excess energy. The results obtained from the Monte Carlo simulations are compared with the predictions of the Tang–Lu [Y. Tang, B.C.-Y. Lu, Mol. Phys. 90 (1997) 215–224] integral equation theory. It is found that the agreement between theory and simulation is quite good for the radial distribution function and excellent for the equation of state and the excess energy.
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Chemical Engineering (General)
Authors
A. Díez, J. Largo, J.R. Solana,