A first-order transition in the charge-induced conformational changes of polymers

Yi Mao, L. Alexander Burin, Mark A Ratner, Martin F. Jarrold

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

An investigation of the nature of phase transitions and addressing of the bonding and interaction properties governing the stability of polymers was presented. Analytical arguments based on Flory's mean-field theory for the homopolymer and lattice model simulations were used to address these issues. The results showed qualitative agreement of the prediction and computer simulation of the exhaustive enumeration of all 12-mer cubic lattice polymer conformations using different potentials.

Original languageEnglish
Pages (from-to)9964-9974
Number of pages11
JournalJournal of Chemical Physics
Volume116
Issue number22
DOIs
Publication statusPublished - Jun 8 2002

Fingerprint

Polymers
Mean field theory
enumeration
polymers
cubic lattices
Homopolymerization
Conformations
simulation
computerized simulation
Phase transitions
Computer simulation
predictions
interactions

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

A first-order transition in the charge-induced conformational changes of polymers. / Mao, Yi; Burin, L. Alexander; Ratner, Mark A; Jarrold, Martin F.

In: Journal of Chemical Physics, Vol. 116, No. 22, 08.06.2002, p. 9964-9974.

Research output: Contribution to journalArticle

Mao, Yi ; Burin, L. Alexander ; Ratner, Mark A ; Jarrold, Martin F. / A first-order transition in the charge-induced conformational changes of polymers. In: Journal of Chemical Physics. 2002 ; Vol. 116, No. 22. pp. 9964-9974.
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