title: Structures and correlation functions of multicomponent and polydisperse hard-sphere mixtures from a density functional theory.
abstract: The structures of nonuniform binary hard-sphere mixtures and the correlation functions of uniform ternary hard-sphere mixtures were studied using a modified fundamental-measure theory based on the weight functions of Rosenfeld [Rosenfeld, Phys. Rev. Lett. 63, 980 (1989)] and Boublik-Mansoori-Carnahan-Starling-Leland equation of state [Boublik, J. Chem. Phys. 53, 471 (1970); Mansoori et al., J. Chem. Phys. 54, 1523 (1971)]. The theoretical predictions agreed very well with the molecular simulations for the overall density profiles, the local compositions, and the radial distribution functions of uniform as well as inhomogeneous hard-sphere mixtures. The density functional theory was further extended to represent the structure of a polydisperse hard-sphere fluid near a hard wall. Excellent agreement was also achieved between theory and Monte Carlo simulations. The density functional theory predicted oscillatory size segregations near a hard wall for a polydisperse hard-sphere fluid of a uniform size distribution.
authors.affiliation: Department of Chemical Engineering, Tsinghua University, Beijing 100084, People's Republic of China. yangxyu@mail.tsinghua.edu.cn
authors.forename: Yang-Xin
authors.initials: YX
authors.lastname: Yu
authors.forename: Jianzhong
authors.initials: J
authors.lastname: Wu
authors.forename: Yu-Xuan
authors.initials: YX
authors.lastname: Xin
authors.forename: Guang-Hua
authors.initials: GH
authors.lastname: Gao