Pair correlation functions in binary mixtures from pure fluid data

摘要: Two simple models for the prediction of pair correlation functions in binary mixtures from pure fluid information, i.e. van der Waals 1-approximation and mean density approximation, are investigated by numerous comparisons with computer simulations Lennard-Jones (12-6) potential. In particular, important integrals over pair-correlation function, that arise thermodynamic perturbation theory as well transport theory, evaluated. An empirical modification approximation is established which gives quite reliable values these even systems large ratios potential parameters.