聚乙烯链构象熵的研究
Study on the Conformational Entropy of the Polyethylene Chain
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摘要: 采用旋转异构态模型,考虑近程二级相互作用和远程自回避相互作用,在金钢石格点上模拟聚乙烯链,用完全计算法研究了它的构象熵。我们得到聚乙烯链的我象熵现温度及链长的函数关系式。发现在约200K温度以上,聚乙烯链的构象的熵随温度沽小不明显,在约200K以下,构象熵随温度迅速减小,约在42K的构象熵为零。我们还以现,该链的构象熵近似地与链长成正比。Abstract: The conformational entropy of the polyethylene chain is calculated with the rotational isomeric state model and exact enumeration method. The polyethylene chain which submitted to short-range and long-range interaction are generated in diamond lattice. Th