Entropic collapse transition of a polymer in a ...

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Title Entropic collapse transition of a polymer in a solvent with a nonadditive potential
Author(s) James M. Polson
Journal Physical Review E
Date 1999
Volume 60
Issue 3
Start page 3429
End page 3431
Abstract We use molecular dynamics simulations to study an entropy-driven collapse transition of a flexible polymer in a solvent. Monomers and solvent particles interact with a steeply repulsive soft-sphere potential. We consider a nonadditive potential system in which the effective diameter describing the solvent-monomer interaction is greater than or equal to the diameters corresponding to the solvent-solvent and monomer-monomer interactions, which are set equal. We examine the effects of nonadditivity of the solvent-monomer potential and solvent density on the collapse transition. We find that a small degree of nonadditivity will drive the transition at sufficiently high solvent density. Increasing the density leads to a collapse transition at lower values of nonadditivity. [S1063-651X(99)06609-X].

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