Analytical expressions for the thermodynamic properties of square-well fluids of variable width
Julio Largo, José Solana
Simple analytical expressions are derived for the thermodynamic properties of square-well fluids of variable width. In this derivation we use an expression previously developed for the first coordination shell of the radial distribution function. This expression was, in turn, derived as a double series expansion, in terms of both the radial distance and the packing fraction, from the Percus – Yevick theory. Then, on the basis of the Barker – Henderson perturbation theory, thermodynamic properties for square-well fluids are expressed as series expansions of the inverse of the reduced temperature. The coefficients in these expansions are functions of the packing fraction and the range of the potential well. In general the results show good agreement with simulation data.