Collect. Czech. Chem. Commun.
2008, 73, 314-321
https://doi.org/10.1135/cccc20080314
New Approximate Analytical Formula for the Solute-Solvent Contact Distribution Function in an Infinitely Dilute Binary Hard-Sphere Mixture
Stanislav Labíka,* and William R. Smithb
a Department of Physical Chemistry, Institute of Chemical Technology, Prague, 166 28 Prague 6, Czech Republic
b Faculty of Science, University of Ontario Institute of Technology, 2000 Simcoe Street North, Oshawa, Ontario, L1H 7K4 Canada
Abstract
A new analytical expression for the contact value of the solute-solvent pair distribution function of a binary hard-sphere mixture at infinite dilution is proposed, based on scaled-particle-theory-like arguments. For high solute-solvent diameter ratio it predicts perfect agreement with the simulation results.
Keywords: Thermodynamics; Structure prediction; Scaled-particle theory; Solutions; Solvents; Binary mixtures.
References: 12 live references.
