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Perturbation Theory of Polymer Chains Revisited, 2—Intermolecular Excluded Volume of Random and Self‐Avoiding Walks
Author(s) -
Zifferer Gerhard,
Olaj Oskar Friedrich
Publication year - 2012
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.201100101
Subject(s) - intermolecular force , intramolecular force , excluded volume , random walk , perturbation (astronomy) , lattice (music) , perturbation theory (quantum mechanics) , intermolecular interaction , chemistry , physics , statistical physics , polymer , mathematics , crystallography , molecule , quantum mechanics , nuclear magnetic resonance , statistics , acoustics
The intermolecular compatibility of 10 7 –10 8 independent pair configurations of linear chains (chain length 64 ≤ N ≤ 8192) with and without intra molecular interaction on various lattices is checked and the intermolecular excluded volume u evaluated. From the (average) number of possible i ‐tuples of overlaps in the pair configurations the parameters C k of the perturbation theory are calculated. Differences between the various lattice types at finite N vanish completely for N → ∞. While the theoretical values of C 1 and C 2 were recovered within very narrow limits for chains without intramolecular interaction, markedly higher figures apply to self‐avoiding walks. The excluded volume u itself and higher C k parameters are called upon to test several classical and renormalized perturbation theories.