The scaled particle theory is developed for the description of thermodynamical properties of a mixture of hard spheres and hard spherocylinders. Analytical expressions for free energy, pressure and chemical potentials are derived. From the minimization of free energy, a nonlinear integral equation for the orientational singlet distribution function is formulated. An isotropic-nematic phase transition in this mixture is investigated from the bifurcation analysis of this equation. It is shown that with an increase of concentration of hard spheres, the total packing fraction of a mixture on phase boundaries slightly increases. The obtained results are compared with computer simulations data.
We develop the scaled particle theory to describe the thermodynamic properties and orientation ordering of a binary mixture of hard spheres (HS) and hard spherocylinders (HSC) confined in a disordered porous medium. Using this theory, the analytical expressions of the free energy, the pressure, and the chemical potentials of HS and HSC have been derived. The improvement of obtained results is considered by introducing the Carnahan-Starling-like and Parsons-Lee-like corrections. Phase diagrams for the isotropic-nematic transition are calculated from the bifurcation analysis of the integral equation for the orientation singlet distribution function and from the conditions of thermodynamic equilibrium. Both the approaches correctly predict the isotropic-nematic transition at low concentrations of hard spheres. However, the thermodynamic approach provides more accurate results and is able to describe the demixing phenomena in the isotropic and nematic phases. The effects of porous medium on the isotropic-nematic phase transition and demixing behavior in a binary HS/HSC mixture are discussed.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.