Effect of density on configurational properties of long-chain molecules using a Monte Carlo method

Abstract

A theoretical model system has been devised to act as a simple analogue of a system of hydrocarbon chains in which one end of each chain is fixed in a plane and in which the chains can coil and interact with each other. Using a Monte Carlo method, the end-to-end distance and other properties are determined as a function of their density using two different potential functions and restricting the chains to a two-dimensional hexagonal lattice. The possible relevance of the results obtained from this theoretical model to real physical situations, such as the configurations of chains in a monolayer, in bilayers and in biological membranes, is discussed.