Fluid Phase Equilibria, Vol.193, No.1-2, 277-287, 2002
Theory and computer simulation of the coordination number of square-well fluids of variable width
Computer simulations have been performed to determine the coordination number of square-well (SW) fluids for wide ranges of densities, temperatures, and potential widths. These data are used to test the performance of a new coordination number model derived on the basis of the quasi-chemical approximation. The model presents a considerable improvement over other previously reported theoretical models based on similar grounds.
Keywords:theory;computer simulation;coordination number model;quasi-chemical approximation;statistical mechanics