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

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

doi:10.1063/1.1478771

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

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

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

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 language	English (US)
Pages (from-to)	9964-9974
Number of pages	11
Journal	Journal of Chemical Physics
Volume	116
Issue number	22
DOIs	https://doi.org/10.1063/1.1478771
State	Published - Jun 8 2002

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1478771

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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.",

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AU - Mao, Yi

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AU - Ratner, Mark A.

AU - Jarrold, Martin F.

PY - 2002/6/8

Y1 - 2002/6/8

N2 - 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.

AB - 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.

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

Abstract

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