화학공학소재연구정보센터
Journal of Chemical Physics, Vol.116, No.22, 9845-9849, 2002
A self-consistent weighted-density-functional approach to the structure of simple fluids
A self-consistent procedure for studying the structure of simple fluids is developed, where a modified density expression of Denton-Ashcroft version of weighted density approximation is used as a closure in the integral equation theory for the uniform fluids. The density equation uses the more accurate Carnahan-Starling equation of state and is made to satisfy the sum rule at contact. This new self-consistent approach is employed to predict the structure of nonuniform hard-sphere fluids near a hard wall. The calculated results on the radial distribution function and the density profiles are shown to compare well with the available simulation data.