Journal article
Conformation transitions of a polyelectrolyte chain: A replica-exchange Monte-Carlo study
Abstract
The thermodynamic behavior of a strongly charged polyelectrolyte chain immersed in a salt-free solution is studied using replica-exchange Monte-Carlo simulations. The results reveal that the chain can assume a variety of conformations, and it undergoes two phase transitions upon cooling. The first transition is identified as a continuous counterion condensation transition while the second one as a first-order coil-globule transition. In the …
Authors
Chi P; Li B; Shi A-C
Journal
Physical Review E, Vol. 84, No. 2,
Publisher
American Physical Society (APS)
Publication Date
August 2011
DOI
10.1103/physreve.84.021804
ISSN
2470-0045