A Monte Carlo study of the intrachain reaction on a poly(oxyethylene) chain.

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概要

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• Monte Carlo calculation was performed to estimate the ring-closure probability of a poly(oxyethylene) chain. The calculation was made for various chain lengths on the basis of a rotational isomeric state model in which the intrachain atomic overlaps were excluded in terms of the hard-sphere model. The chain-length dependence of the ring-closure probability thus obtained was compared with that of the rate-constant ratio of the intrachain reaction <I>vs.</I> the intermolecular reaction previously reported. For longer chains, the calculation agreed well with the experimental data. For shorter chains, the agreement was less satisfactory; this discrepancy was attributed to the effect of the bulky terminal groups of the poly(oxyethylene) chain. The thermodynamic parameters for the cyclization were determined, and it was found that the chain-length dependence of the ring-closure probability is mainly governed by the conformational enthalpy.

• 公益社団法人 日本化学会の論文

著者

• HIGASHIMURA Toshinobu

  Department of Polymer Chemistry, Kyoto University

関連論文

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• Synthesis of Multibranched Polymers by Linking Reactions of Linear Block Copolymers with Pendant Vinyl Groups by Conventional Radical Polymerization
• A Monte Carlo study of the intrachain reaction on a poly(oxyethylene) chain.

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