Monte Carlo study of rod-like molecules

20 June 1989

journal article
research article
Published by Taylor & Francis in Molecular Physics

Vol. 67 (3), 633-650
https://doi.org/10.1080/00268978900101331

Abstract

We report a Monte Carlo study of fluids of linear, rod like molecules interacting either through a Kihara potential, or its soft repulsive potential counterpart. The internal energy, equation of state and a number of static correlation functions were obtained from the simulation. We compare the MC results with the predictions based on a perturbation theory due to Boublik.

Keywords

This publication has 19 references indexed in Scilit:

P-V-T behaviour of hard body fluids. Theory and experiment
Collection of Czechoslovak Chemical Communications, 1986
The hard ellipsoid-of-revolution fluid
Molecular Physics, 1985
Monte Carlo study of the isotropic and nematic phases of infinitely thin hard platelets
Molecular Physics, 1984
Disc-Like Mesogen Polymorphism
Molecular Crystals and Liquid Crystals, 1984
Equation of state of hard convex body fluids
Molecular Physics, 1981
Perturbation theory for fluids of rod-like molecules interacting via the Kihara potential
Molecular Physics, 1976
Computer simulations of polyatomic molecules - I. Monte Carlo studies of hard diatomics
Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1976
The equation of state of a system of hard spherocylinders
Molecular Physics, 1974
Statistical thermodynamics of convex molecule fluids
Molecular Physics, 1974
Phase Transitions of the Lennard-Jones System
Physical Review B, 1969

Cited by 26 articles