화학공학소재연구정보센터
Fluid Phase Equilibria, Vol.201, No.1, 37-45, 2002
Two-body integrals for hard sphere fluid based on Tang-Lu RDF expression
Two-body integral with hard sphere reference fluid is of significance in thermodynamic modelling with perturbation theory. In this paper, the two-body integral is recalculated by using Tang-Lu radial distribution function (RDF) expression, which is superior to P-Y RDF in representing the structure of hard sphere fluid in whole density region and especially in contact-distance region. It is found that the two-body integral values calculated with Tang-Lu RDF are between those of Larsen et al.'s and Henderson et al.'s, and their difference is negligible. In order to investigate the accuracy of two-body integrals, properties of Lennard-Jones fluid are calculated with B-H perturbation theory under local-compressible approximation and compared with computer simulation results. It is shown that the accuracy of internal energy and compressibility calculated with two-body integrals of this paper and with Larsen et al.'s are 6.78, 8.60, 6.85 and 9.08%, respectively for 170 computer simulation data. As a whole, the accuracy of the present two-body integral with Tang-Lu RDF is a little superior to that of Larsen et al.'s.