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Correlations in Hard- and Soft-Core Generic Polymer Models.

ABSTRACT: Generic polymer models capturing the chain connectivity and the non-bonded excluded-volume interactions between polymer segments can be classified into hard- and soft-core models depending on their non-bonded pair potential. Here we compared the correlation effects on the structural and thermodynamic properties of the hard- and soft-core models given by the polymer reference interaction site model (PRISM) theory, and found different behaviors of the soft-core models at large invariant degree of polymerization (IDP) depending on how IDP is varied. We also proposed an efficient numerical approach, which enables us to accurately solve the PRISM theory for chain lengths as large as 10⁶.

SUBMITTER: Wang Q

PROVIDER: S-EPMC10007592 | biostudies-literature | 2023 Feb

REPOSITORIES: biostudies-literature

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Correlations in Hard- and Soft-Core Generic Polymer Models.

Wang Qiang Q

Polymers 20230226 5

Generic polymer models capturing the chain connectivity and the non-bonded excluded-volume interactions between polymer segments can be classified into hard- and soft-core models depending on their non-bonded pair potential. Here we compared the correlation effects on the structural and thermodynamic properties of the hard- and soft-core models given by the polymer reference interaction site model (PRISM) theory, and found different behaviors of the soft-core models at large invariant degree of ...[more]

PMID: 36904420

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