A. Kramer et al., THE INFLUENCE OF IMAGE INTERACTIONS ON THE STRUCTURE OF WATER AND ELECTROLYTES IN FRONT OF A METAL-SURFACE, The Journal of chemical physics, 106(7), 1997, pp. 2792-2800
The structure of liquid water in contact with a metallic planar wall i
s calculated for the central force water model which is a stoichiometr
ic mixture of partially charged hydrogen and oxygen atoms interacting
via effective spherical pair potentials. The density profiles near the
wall are obtained from the Wertheim-Lovett-Mou-Buff equation where th
e bulk information enters through the direct correlation functions, In
this approach image interactions which are characteristic for a metal
lic boundary, and which cannot be treated as a simple particle-wall in
teraction are considered within a mean-field ansatz. We discuss the st
ructural properties of the interface layer for both cases, the charged
and the uncharged wall, and compare the results to those for an unpol
arizable boundary where the image forces have been switched off. The d
ifferential capacitance as function of the wall charge is seen to show
a characteristic ''hump'' which can be related to the transition betw
een two possible icelike water structures in front of the wall. (C) 19
97 American Institute of Physics.