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Influence of short‐range interactions on the shape of an unperturbed polymer chain: polyethylene
Author(s) -
Luo Mengbo,
Wang Zhihu,
Xu Jianmin
Publication year - 1998
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/(sici)1521-3919(19980501)7:3<355::aid-mats355>3.0.co;2-8
Subject(s) - polyethylene , gyration , radius of gyration , chain (unit) , monte carlo method , polymer , range (aeronautics) , materials science , limit (mathematics) , polymer chemistry , statistical physics , composite material , physics , geometry , mathematics , mathematical analysis , statistics , astronomy
The average instantaneous shape of an unperturbed polyethylene chain is studied with a Monte Carlo technique. Different short‐range interactions in the polyethylene chain are considered. The shape is evaluated as the ratio 〈 L 1 2 〉:〈 L 2 2 〉:〈 L 3 2 〉, where L 1 ≤ L 2 ≤ L 3 are the orthogonal components in the system of principal axes of gyration. Differences are found for different interactions in short‐ and medium‐length chains, while for long chains all ratios converge to a common limit, which is about 1:2.7:12.0 for polyethylene chains.