CALCULATION OF THE SURFACE-POTENTIAL FOR CHARGE MODELS OF WATER

Authors
KUZMIN VL BRODSKAYA EN
Citation
Vl. Kuzmin et En. Brodskaya, CALCULATION OF THE SURFACE-POTENTIAL FOR CHARGE MODELS OF WATER, Colloid journal of the Russian Academy of Sciences, 57(6), 1995, pp. 776-780
Citations number
23
Categorie Soggetti
Chemistry Physical
Journal title
Colloid journal of the Russian Academy of Sciences → ACNP
ISSN journal
1061933X
Volume
57
Issue
6
Year of publication
1995
Pages
776 - 780
Database
ISI
SICI code
1061-933X(1995)57:6<776:COTSFC>2.0.ZU;2-S
Abstract
An analytical expression was obtained for the dipole contribution to t he surface potential of a highly polar liquid. This contribution was c alculated for two water models (ST2 and TIP4P). The result was shown t o depend on the parameter of the truncation of electrostatic interacti on at short distances. However, appropriate choice of this parameter r esults in good agreement between theoretical result and the data of th e numerical experiment.