Fluid Phase Equilibria, Vol.116, No.1-2, 282-288, 1996
Molecular-Dynamics Simulation of Infinitely Dilute-Solutions of Benzene in Supercritical CO2
Molecular dynamics simulations of infinitely dilute solutions of bezene in supercritical CO2 have been performed using site-site potential models for both molecules. The simulations were made for systems of 256 molecules (1 solute, 255 solvent) in the NVT ensemble, at slightly supercritical temperatures with respect to the solvent, and over a reduced density range of 0.5