Transformation from Rogers-Young approximation to the density functional approach for nonuniform fluids: numerical recipe.
A numerical recipe is devised to extend the methodology [J. Chem. Phys. 112, 8079 (2000)] to nonhard-sphere nonuniform fluids where analytical expressions for the functional relationship of the bridge function as a function of indirect correlation function do not exist, the numerical recipe is also based on the universality of the free-energy density functional. As an example, the recipe is employed to calculate the density profile of a colloidal suspension near a single charged hard wall and the hard-sphere Yukawa fluid near a single hard wall and a single hard wall with an attractive tail, the agreement of the predictions of the theory with the simulation data is good. The difference of the present methodology from that of the weighted density approximation is discussed.
Zhou
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Research Institute of Modern Statistical Mechanics, Zhuzhou Institute of Technology, Wenhua Road, Zhuzhou City, 412008, People's Republic of China. chixiayzsq@yahoo.com