Condensed Matter Physics, 1996, No. 7, p. 71-88, English
DOI:10.5488/CMP.7.71
Title: ADSORPTION OF A HETEROGENEOUSLY ASSOCIATING FLUID ON A fcc 100
CRYSTALLINE SURFACE
Authors: D.Henderson (Department of Chemistry and Biochemistry, Brigham Young
University, Provo, Utah 84602, USA and Departamento de Fisica,
Universidad Autonoma Metropolitana/Iztapalapa, 09340 Mexico, D.F.),
O.Pizio (Instituto de Quimica de la UNAM, Coyoacan 04510, Mexico, D.F. and
Institute for Condensed Matter Physics Ukrainian National Academy of Sciences,
1 Svientsitskii St., 290011 Lviv-11, Ukraine),
S.Sokolowski (Departamento de Fisica, Universidad Autonoma
Metropolitana/Iztapalapa, 09340 Mexico, D.F. and
Faculty of Chemistry, MCS University, Lublin 20031, Poland),
A.Trokhymchuk (Instituto de Quimica de la UNAM, Coyoacan 04510, Mexico, D.F.
and Institute for Condensed Matter Physics Ukrainian National Academy of
Sciences, 1 Svientsitskii St., 290011 Lviv-11, Ukraine)
A model of a heterogeneously dimerizing fluid (A+B<->AB) near a fcc (100)
crystalline surface is studied by means of an integral equation
method. The site-site extended mean spherical approximation and singlet
level integral equations are used to obtain the density profiles. Their
dependence on the degree of dimerization of the bulk fluid, the bonding
distance of dimer species and the strength of nonassociative fluid-solid
interactions is studied. The geometric and energetic aspects of associative
adsorption on the (100) surface are investigated by using the model of
reactive crystal sites. On-top, two-fold bridging site and four-fold hollow
site localized adsorption are also examined.
Comments: Refs. 39, Figs. 12, Tabs. 0.