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Updated: Jul 18, 2026

Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level
Published on: September 26, 2016
Globule transitions of a single homopolymer: a Wang-Landau Monte Carlo study
Drew F Parsons1, David R M Williams
1Research School of Physical Sciences and Engineering, Australian National University, Canberra, Australian Capital Territory 0200, Australia. Drew.Parsons@anu.edu.au
Abstract:
The temperature-independent Wang-Landau Monte Carlo approach is implemented for an off-lattice model of flexible homopolymers and applied to the coil-globule and solidification transitions based on chain sizes up to N=300. An intermediate transformation from low-density liquid globule to high-density liquid globule is suggested. A scheme for identifying polymer structures representative of particular temperatures in the course of the simulation is presented and applied to illustrate intermediate states in the coil-globule transition. Transition temperatures are calculated and used to obtain a theta point of at least Theta=1.96, distinctly higher than the solid-liquid transition temperature T(M)=1.26.
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