Solvent effects on osmotic second virial coefficient studied using analytic molecular models. Application to solutions of C-60 fullerene

Authors
Citation
Jp. Simonin, Solvent effects on osmotic second virial coefficient studied using analytic molecular models. Application to solutions of C-60 fullerene, J PHYS CH B, 105(22), 2001, pp. 5262-5270
Citations number
66
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY B
ISSN journal
15206106 → ACNP
Volume
105
Issue
22
Year of publication
2001
Pages
5262 - 5270
Database
ISI
SICI code
1520-6106(20010607)105:22<5262:SEOOSV>2.0.ZU;2-U
Abstract
Osmotic second virial coefficients (OSVC's) are calculated analytically for some molecular models in which the solvent is taken into account explicitl y. The basic effect of solvent packing is examined first by applying the me thod to the reference case of a binary hard sphere mixture. Then, cohesion forces for the solvent and solute-solvent attractive forces are introduced successively into the description. The results are applied to interpret rec ent experimental data on solutions of C-60 in nonaqueous solvents. With a p lausible assumption in the model, a very good agreement is obtained with th e experimental OSVC value for C-60 in CS2. In the case of benzene as the so lvent, the theoretical result is consistent with the experimental observati on (formation of aggregates). No specific adjustable parameter was needed i n the model to interpret the experimental results. The description suggests that the solute-solvent interaction has a determinant influence on the obs erved OSVC value.