Conformational Entropy of an Ideal Cross-Linking Polymer Chain
Donald J. Jacobs, Dennis R. Livesay, Oleg K. Vorov
Entropy · 2008
doi:10.3390/e10030285 (opens in a new tab)
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Abstract
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.
Abstract licence: CC BY
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