MONTE-CARLO AND MEAN-FIELD STUDIES OF SUCCESSIVE PHASE-TRANSITIONS IN ROD MONOLAYERS

Citation:

Kramer D, Benshaul A, CHEN ZY, Gelbart WM. MONTE-CARLO AND MEAN-FIELD STUDIES OF SUCCESSIVE PHASE-TRANSITIONS IN ROD MONOLAYERS. JOURNAL OF CHEMICAL PHYSICS. 1992;96 :2236-2252.
1992.dk_et_al._jcp.pdf2.24 MB

Date Published:

FEB 1

Abstract:

In this paper we present a rigid-rod model (involving a restricted set of orientations) which is solved first with mean-field theory and then by Monte Carlo simulation. It is shown that both interparticle attractions and anisotropic adsorption energies are necessary in order for two successive fluid-fluid transitions to occur. The first is basically a gas-liquid condensation of ``lying down'' rods in the plane of the surface, and the second involves a ``standing up'' of the particles. A close qualitative correspondence is established between the results obtained in the mean-field and Monte Carlo descriptions. The role of biaxial states, i.e., in-plane orientational ordering, is also discussed in both contexts. To this end, we develop an analogy between our one-component rod monolayer and a bidisperse system of interconverting isotropic particles.

Last updated on 02/28/2017