Calculation of the isotopic fractionation of helium in aqueous solution from effective potentials

Authors
Taubmann, G Witschel, W
Citation
G. Taubmann et W. Witschel, Calculation of the isotopic fractionation of helium in aqueous solution from effective potentials, J SOL CHEM, 29(9), 2000, pp. 799-814
Citations number
21
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF SOLUTION CHEMISTRY
ISSN journal
00959782 → ACNP
Volume
29
Issue
9
Year of publication
2000
Pages
799 - 814
Database
ISI
SICI code
0095-9782(200009)29:9<799:COTIFO>2.0.ZU;2-1
Abstract
The temperature dependence of the isotope effect on the Henry's law constan t of He-4/He-3 in aqueous solution is calculated from simple model systems. The cavity in the liquid in which the atom moves is described by spherical anharmonic potentials. The experimental data can be reproduced with suffic ient accuracy from a potential with two free parameters. Numerical problems of the fitting procedure are discussed in detail.