Study of the conformational elasticity of polymer chains based on the Monte-Carlo method

The stretching of PE chains having a number of units N = 30−97 has been simulated, using a computer. The elastic force f acting of chain ends with a fixed distance r between the ends has been calculated. Various analytical approximations describing the dependence of f on r have been analyzed for sho...

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Bibliographic Details
Published in:Polymer science USSR 1983, Vol.25 (7), p.1747-1756
Main Authors: Khalatur, P.G., Klyushnik, B.N., Pakhomov, P.M.
Format: Article
Language:English
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Summary:The stretching of PE chains having a number of units N = 30−97 has been simulated, using a computer. The elastic force f acting of chain ends with a fixed distance r between the ends has been calculated. Various analytical approximations describing the dependence of f on r have been analyzed for short unperturbed chains. It is shown that the best results are obtained when expressions including the 〈 r 0 S 〉 moments are used. For moderately stretched nonselfintersecting chains the value of f is proportional to (r/N) 3 2 . The average number of interunit contacts per chain unit is practically constant for small r, and decreases as ∼ (1 − r/ N) for highly stretched chains.
ISSN:0032-3950
1878-268X
DOI:10.1016/0032-3950(83)90289-7