title: Properties of the two-dimensional heterogeneous Lennard-Jones dimers: An integral equation study.
abstract: Structural and thermodynamic properties of a planar heterogeneous soft dumbbell fluid are examined using Monte Carlo simulations and integral equation theory. Lennard-Jones particles of different sizes are the building blocks of the dimers. The site-site integral equation theory in two dimensions is used to calculate the site-site radial distribution functions and the thermodynamic properties. Obtained results are compared to Monte Carlo simulation data. The critical parameters for selected types of dimers were also estimated and the influence of the Lennard-Jones parameters was studied. We have also tested the correctness of the site-site integral equation theory using different closures.
authors.affiliation: Faculty of Chemistry and Chemical Technology, University of Ljubljana, Vecna pot 113, 1000 Lubljana, Slovenia.
authors.forename: Tomaz
authors.initials: T
authors.lastname: Urbic