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导出了线性聚合物链m级相互作用近似统计权重矩阵的递推公式,它满足构象统计的矩阵代数法所要求的连接条件。按作为四元组转动的C-C键旋转角的函数计算了正庚烷的构象能。研究了聚乙烯(PE)链由相隔六键的原子间所施加的四级相互作用对均方末端距和均方回转半径的特征比的影响,结果表明考虑四级相互作用后,PE链的特征比要比三级相互作用近似的小。
The recurrence formula of the approximate statistical weight matrix of m-order linear polymer chains is derived, which satisfies the connection conditions required by the matrix algebra method of conformational statistics. The conformational energy of n-heptane was calculated as a function of the rotation angle of the C-C bond as a quaternion. The effect of the four-level interaction between the six-bond polyethylene atoms (PE) chains on the characteristic ratio of the mean square distance to the mean square gyration radius was studied. The results show that after considering the four-level interaction, The characteristic ratio is smaller than the three-level interaction.