Analytic solution of the mean spherical approximation for ion-dipole model in a neutralizing background

The analytic solution of the mean spherical approximation (MSA) for a multicomponent mixture of hard ions and hard dipoles with arbitrary valences and sizes of particles in a uniform neutralizing background is found. Expressions for the pair correlation functions and thermodynamics in the MSA are obtained.     

The GMSA for a hard-sphere fluid revisited: evaluation of the Henderson-Blum approximation[*

The Generalized Mean Spherical Approximation for a hard-sphere fluid developed by Waisman [E. Waisman, Mol. Phys. 25, 45 (1973)] over forty years ago is revisited. The relatively recent [C. F. Tejero and M. López de Haro, Mol. Phys. 105, 2999 (2007)] completely analytical results for the direct correlation function of such approximation are used to assess the simplification introduced by Henderson and Blum [D. Henderson and L. Blum, Mol. Phys. 32, 1627 (1976)]. The conclusion is reached that such simplification is a rather valuable compromise between simplicity and accuracy.     

The orientational pair correlation functions in a dense hard sphere fluid at long times

The two-particle contribution to the potential part of the stress tensor autocorrelation function of a dense hard sphere fluid is studied. It is shown that the long-time decay is given as the solution of a diffusion equation for the relative particle in a potential of mean force. The diffusion constant needed in order to accurately reproduce molecular dynamics results is found to be somewhat lower than the self-diffusion constant.     

Heat capacities of the dipolar Yukawa model polar fluid

The Stockmayer fluid is often used to describe a polar fluid. The dipolar Yukawa (DY) fluid is also a useful model for such fluids and is convenient for theoretical applications. Here we use the mean spherical approximation (MSA) and perturbation theory (PT) to study the heat capacities of the DY fluid model of a polar fluid and compare these results with Monte Carlo simulations for this model polar fluid. We find that the DY fluid shows the same features as the Stockmayer fluid does; demonstrating the utility of the DY fluid and further finding that the MSA and PT approaches give reasonably accurate results for the heat capacity.     

Adsorption of dipolar hard spheres onto a smooth,hard wall in the presence of an electric field

Integral equations have been solved for the density profile of dipolar hard spheres against a hard, smooth wall in the presence of an electric field. This density profile was examined as a function of the bulk medium's temperature and density with different field strengths and field directions. It was found to depend primarily upon the competitive interactions of the field with the monolayer particles and the first outer shell with the monolayer particles.Supported by the ARGC.