화학공학소재연구정보센터
Chemical Physics Letters, Vol.637, 32-37, 2015
Structure of nonuniform four-component fluid mixtures: A systematic investigation through density functional theory and simulation
The static structure of four-component fluid mixtures is studied using a density functional approach and computer simulation. The input direct correlation function required in the simple weighted density approach is obtained analytically within the Percus-Yevick approximation. However, in the selfconsistent density functional approach, the same is calculated numerically from the integral equation theory using a more consistent closure relation. The density profiles of the four-component hard sphere mixtures near a hard wall and around a large hard spherical solute as well as the radial distribution function of uniform system compare quite well with the computer simulation results over a wide variation of different parameters. (C) 2015 Elsevier B.V. All rights reserved.