Murdoch University Research Repository

Welcome to the Murdoch University Research Repository

The Murdoch University Research Repository is an open access digital collection of research
created by Murdoch University staff, researchers and postgraduate students.

Learn more

An off-lattice Wang-Landau study of the coil-globule and melting transitions of a flexible homopolymer

Parsons, D.F.ORCID: 0000-0002-3956-6031 and Williams, D.R.M. (2006) An off-lattice Wang-Landau study of the coil-globule and melting transitions of a flexible homopolymer. The Journal of Chemical Physics, 124 (22). Article 221103.

[img]
Preview
PDF - Published Version
Download (67kB)
Link to Published Version: http://dx.doi.org/10.1063/1.2209684
*Subscription may be required

Abstract

The Wang-Landau Monte Carlo approach is applied to the coil-globule and melting transitions of off-lattice flexible homopolymers. The solid-liquid melting point and coil-globule transition temperatures are identified by their respective peaks in the heat capacity as a function of temperature. The melting and theta points are well separated, indicating that the coil-globule transition occurs separately from melting even in the thermodynamic limit. We also observe a feature in the heat capacity between the coil-globule and melting transitions which we attribute to a transformation from a low-density liquid globule to a high-density liquid globule.

Item Type: Journal Article
Publisher: American Institute of Physics
Copyright: © 2006 American Institute of Physics.
URI: http://researchrepository.murdoch.edu.au/id/eprint/27347
Item Control Page Item Control Page

Downloads

Downloads per month over past year