PARTIAL MOLAR VOLUMES OF IONS IN NONPOLAR-SOLVENTS

Authors
Citation
Ha. Schwarz, PARTIAL MOLAR VOLUMES OF IONS IN NONPOLAR-SOLVENTS, Journal of physical chemistry, 97(49), 1993, pp. 12954-12958
Citations number
28
Categorie Soggetti
Chemistry Physical
ISSN journal
00223654
Volume
97
Issue
49
Year of publication
1993
Pages
12954 - 12958
Database
ISI
SICI code
0022-3654(1993)97:49<12954:PMVOII>2.0.ZU;2-W
Abstract
A method of including density effects in electrostatic calculations of ions in nonpolar solvents has been developed which is useful down to a radius of 2 angstrom. It is shown on the basis of free energy calcul ations that the first layer of solvent molecules around a small ion is most likely frozen in a high-density glasslike state. With this effec t included, good agreement (+/- 30 CM3/mol) is found with recent exper imental data on five solvents, in which electrostriction volumes for C O2-range from -180 to -265 cm3/mol. The effect on ionic mobility is di scussed.