Excess Properties of Aqueous Solutions: Hard Spheres versus Pseudo-Hard Bodies

0368376 - ÚCHP 2012 RIV GB eng J - Journal Article
Rouha, M. - Nezbeda, Ivo
Excess Properties of Aqueous Solutions: Hard Spheres versus Pseudo-Hard Bodies.
Molecular Physics. Roč. 109, č. 4 (2011), s. 613-617. ISSN 0026-8976. E-ISSN 1362-3028
R&D Projects: GA AV ČR IAA400720802
Institutional research plan: CEZ:AV0Z40720504
Keywords : partial molar volume * primitive models * thermodynamic properties
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.819, year: 2011

The effect of repulsive interactions (geometrical packing of molecules) on mixing properties is examined considering hard sphere solutes of different diameters in the hard sphere and pseudo-hard body solvents. It is shown that the fluid of pseudo-hard bodies, representing repulsive interactions in water, captures, without any parameter adjustment, the experimentally observed decrease of the partial molar volume of nonpolar solutes (hard spheres) at their low concentrations when compared to that in a nonpolar (hard sphere) solvent.
Permanent Link: http://hdl.handle.net/11104/0202740