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对聚合物链的某些特性的计算,通常只近似到二级相互作用.即忽略大于四键相隔原子或原子团之间的相互作用.这被Flory称之谓无扰态.然而这是一种近似的处理,在这一近似下,旋转异构态模型链上各键的旋转态的统计权重矩阵用一个3×3阶的矩阵表示.由此可以用知陈代数的方法计算线型聚合物链的均方末端距、均方回转半径、持久矢量、质量中心矢量和平均键构型等等.本文的计算涉及线型聚合物键的三级相互作用——一对由五键隔开的原子团的相互作用.在三级相互作用近似下,一个构象的构象能可以表示为
The calculation of certain properties of polymer chains usually only approximates to a second-order interaction, which ignores the interaction between atoms greater than four bonds, which is what Flory calls an undisturbed one. However, this is a In this approximation, the statistical weight matrix for the rotational states of the individual bonds in the chain of the rotational isomerism model is represented by a matrix of 3 × 3 orders, whereby the linear polymer can be calculated using the method of knowing algebra Mean square end radius of the chain, mean square radius of gyration, longitude vector, center of mass vector and average bond configuration, etc. The calculations in this paper involve the three-level interactions of linear polymer bonds-a pair of five- Atomic interaction The conformational energy of a conformation can be expressed as