26-02U
26-02U
Radial distribution functions for off-center interactions in mixtures of spherical monomers with short-chain and spherocylindrical particles
The structural properties of model fluids composed of particles with complex shapes are investigated. Equimolar binary mixtures are considered, in which one component consists of dimers of hard spheres, trimers (flexible or rigid), short chains of fused hard spheres, or hard spherocylinders, while the second component consists of individual hard spherical monomers. The study is carried out both in the bulk phase and in a disordered hard sphere matrix. The main attention is paid to radial distribution functions and contact values between spherical monomers and selected sites of the particles corresponding to off-center interactions. Using the Monte Carlo simulation, the effects of particle shape, particle architecture and the location of interaction sites are analyzed.