Home

CV

Research

People

Teaching

Blog

Reference [<] [>] [x] : Figure [<] [>] [x]

10.

A density functional for additive mixtures M. Schmidt, Phys. Rev. E 62, 3799 (2000). Locate in [bare] [illustrated] list. Get [full paper] as pdf. Abstract. We present a density functional theory for mixtures of particles interacting with a radially symmetric pair potential. The approach is suitable for systems with soft or hard interactions between like species. The cross interactions between unlike species are restricted to obey an additivity constraint. The functional is a generalization of the soft fundamental measure theory SFMT for one-component systems and reduces to Rosenfeld's functional in the case of hard sphere mixtures. It respects both, the zero-dimensional limit and the virial expansion. The structure of the homogeneous fluid phase is an output. As an application, we calculate the pair distributions of colloidal hard spheres mixed with star polymers and find good agreement with computer simulation results. [figures] Read the [full paper] as pdf.

DFT for soft potentials

Based on the hard sphere case [5] [6], a density functional theory (DFT) for soft (i.e. continuously varying as a function of interparticle distance) potentials was obtained by considering dimensional crossover [8], and subsequently extended to mixtures [10]. Applications concern the liquid structure of model fluids [13], and structure and freezing of star polymer solutions [15] (see also [16].)

[more]