Wetting of Crystalline Solids by Associating Fluids.
The wetting behavior of Lennard-Jones associating fluid on a crystalline surface is studied using Monte Carlo simulation in the isobaric-isothermal ensemble. We explore the structure of the adsorbed film, characterized by the distribution of all particles and the distributions of centers of mass of dimers, as well as by orientational distributions of the dimers. The simulations performed indicate the existence of a prewetting-like behavior of the adsorption isotherm. The results for a crystalline surface are compared with simular results obtained for a structureless surface. Finally, we present some density functional theory evaluations and compare them with the simulation results at a high temperature. Copyright 2000 Academic Press.
Borówko
M
Department for the Modelling of Physico-Chemical Processes, Maria Curie-Sklodowska University, Lublin, 20031, Poland
Zagórski
R
Sokolowski
S