Journal article
An off-lattice Wang-Landau study of the coil-globule and melting transitions of a flexible homopolymer
The Journal of Chemical Physics, Vol.124(22), Article 221103
2006
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.
Details
- Title
- An off-lattice Wang-Landau study of the coil-globule and melting transitions of a flexible homopolymer
- Authors/Creators
- D.F. Parsons (Author/Creator) - Australian National UniversityD.R.M. Williams (Author/Creator)
- Publication Details
- The Journal of Chemical Physics, Vol.124(22), Article 221103
- Publisher
- American Institute of Physics
- Identifiers
- 991005540830507891
- Copyright
- © 2006 American Institute of Physics.
- 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
- Chemistry, Physical
- Physics, Atomic, Molecular & Chemical
- ESI research areas
- Chemistry