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聚硅烷链形状的 Monte Carlo 研究 被引量:1

Monte Carlo Study of the Shape of Polysilane Chain
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摘要 用MonteCarlo方法对θ溶液中考虑二级相互作用的聚硅烷链的形状进行了研究。结果表明聚硅烷链的形状明显偏离球形,它与链长有关,长链极限的比值<L21>∶<L22>∶<L23>约为1∶2.7∶12.1。还发现聚硅烷链转动惯量的最长主轴与末端距矢量之间夹角的统计平均值<θ>的极限值约为27°。 The shape of polysilane chain was studied with Monte Carlo method, the interaction of the chain in θ solution is considered approximately as second-order interaction. The strong departures of its shape from sphere was found. The shape is dependent on the chain length, the ratio <L21>∶<L22>∶<L23> of polysilane chain for infinite long chain is about 1∶2.7∶12.1. The angle θ between the longest principal axis of inertia of the polysilane chain and the end-to-end vector was also investigated,which statistical average <θ> is about 27° for long chain.
出处 《功能高分子学报》 CAS CSCD 1998年第1期147-150,共4页 Journal of Functional Polymers
关键词 聚硅烷链 形状 MONTE Carlo Polysilane chain, Shape, Monte Carlo method
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