DENSITY PROFILES AT A WATER LIQUID MERCURY INTERFACE/

Authors
BOCKER J SPOHR E HEINZINGER K
Citation
J. Bocker et al., DENSITY PROFILES AT A WATER LIQUID MERCURY INTERFACE/, Zeitschrift fur Naturforschung. A, A journal of physical sciences, 50(6), 1995, pp. 611-612
Citations number
7
Categorie Soggetti
Chemistry Physical",Physics
Journal title
Zeitschrift fur Naturforschung. A, A journal of physical sciences → ACNP
ISSN journal
09320784
Volume
50
Issue
6
Year of publication
1995
Pages
611 - 612
Database
ISI
SICI code
0932-0784(1995)50:6<611:DPAAWL>2.0.ZU;2-L
Abstract
A molecular dynamics simulation of the water/liquid mercury interface has been performed. The potentials describing the water-metal interact ions are derived from ab initio calculations of a water molecule on a mercury cluster. The mercury-mercury potential is based on pseudopoten tial theory. As a first result the density profiles of the mercury, ox ygen, and hydrogen atoms are presented.