Conformational Entropy of an Ideal Cross-Linking Polymer Chain

We present a novel analytical method to calculate conformational entropy of ideal cross-linking polymers from the configuration integral by employing a Mayer series expansion. Mayer-functions describing chemical bonds within the chain and for cross-links are sharply peaked over the temperature range...

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Veröffentlicht in:Entropy (Basel, Switzerland) Switzerland), 2008-09, Vol.10 (3), p.285-308
Hauptverfasser: Vorov, Oleg K, Livesay, Dennis R, Jacobs, Donald J
Format: Artikel
Sprache:eng
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Zusammenfassung:We present a novel analytical method to calculate conformational entropy of ideal cross-linking polymers from the configuration integral by employing a Mayer series expansion. Mayer-functions describing chemical bonds within the chain and for cross-links are sharply peaked over the temperature range of interest, and, are well approximated as statistically weighted Dirac delta-functions that enforce distance constraints. All geometrical deformations consistent with a set of distance constraints are integrated over. Exact results for a contiguous series of connected loops are employed to substantiate the validity of a previous phenomenological distance constraint model that describes protein thermodynamics successfully based on network rigidity.
ISSN:1099-4300
1099-4300
DOI:10.3390/e10030285