Density anomaly of charged hard spheres of different diameters in a mixture with core-softened model solvent. Monte Carlo simulation results

Abstract

Very recently the effect of equisized charged hard sphere solutes in a mixture with core-softened fluid model on the structural and thermodynamic anomalies of the system has been explored in detail by using Monte Carlo simulations and integral equations theory [J. Chem. Phys., 2012, 137, 244502]. Our objective of the present short work is to complement this study by considering univalent ions of unequal diameters in a mixture with the same soft-core fluid model. Specifically, we are interested in the analysis of changes of the temperature of maximum density (TMD) lines with ion concentration for three model salt solutes, namely sodium chloride, potassium chloride and rubidium chloride models. We resort to Monte Carlo simulations for this purpose. Our discussion also involves the dependences of the pair contribution to excess entropy and of constant volume heat capacity on the temperature of maximum density line. Some examples of the microscopic structure of mixtures in question in terms of pair distribution functions are given in addition.

10 pages, 5 figures

References in corpus (8)

• Structural anomalies for a three dimensional isotropic core-softened potential
• Phase behaviour of attractive and repulsive ramp fluids: integral equation and computer simulation studies
• Interplay between structure and density anomaly for an isotropic core-softened ramp-like potential
• Composition and concentration anomalies for structure and dynamics of Gaussian-core mixtures
• Core-softened Fluids, Water-like Anomalies and the Liquid-Liquid Critical Points
• Fragile to strong crossover coupled to liquid-liquid transition in hydrophobic solutions
• Modeling Amphiphilic Solutes in a Jagla Solvent
• Thermodynamic, Dynamic, Structural and Excess Entropy Anomalies for core-softened potentials