Journal article
Globule transitions of a single homopolymer: A Wang-Landau Monte Carlo study
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, Vol.74(4), Article 041804
2006
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 Θ=1.96, distinctly higher than the solid-liquid transition temperature TM =1.26.
Details
- Title
- Globule transitions of a single homopolymer: A Wang-Landau Monte Carlo study
- Authors/Creators
- D.F. Parsons (Author/Creator) - Australian National UniversityD.R.M. Williams (Author/Creator) - Australian National University
- Publication Details
- Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, Vol.74(4), Article 041804
- Publisher
- American Physical Society
- Identifiers
- 991005540532807891
- Copyright
- © 2006 The American Physical Society.
- Murdoch Affiliation
- Murdoch University
- Language
- English
- Resource Type
- Journal article
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- Citation topics
- 2 Chemistry
- 2.53 Polymers & Macromolecules
- 2.53.704 Polymer Dynamics
- Web Of Science research areas
- Physics, Fluids & Plasmas
- Physics, Mathematical
- ESI research areas
- Physics