用Monte Carlo 方法对考虑骨架原子排斥体积的聚乙烯链的形状进行了研究. 聚乙烯链短程骨架原子之间的相互作用近似考虑为三级相互作用,长程骨架原子之间的相互作用近似为骨架原子之间存在排斥体积. 考虑骨架原子排斥体积的聚乙烯链,〈L22〉/〈L12〉和〈L32〉/〈L12〉都比不考虑排斥体积的聚乙烯链的〈L22〉/〈L12〉和〈L32〉/〈L12〉大,从链长N= 400 附近外推,长链极限下〈L12〉∶〈L22〉∶〈L32〉的比值约为1∶3.0∶14.5,而不考虑排斥体积的聚乙烯链,其值约为1∶2.7∶12.0. 考虑排斥体积的聚乙烯链转动惯量最长主轴与末端距矢量之间的夹角的平均值〈θ〉的极限值约为25 Monte Carlo method was used to study the shape of the polyethylene chain considering the atomic exclusion volume of the framework. The interactions between the short-chain framework atoms in the polyethylene chain are approximately considered as a three-level interaction and the interaction between the long-range framework atoms approximates the skeleton L22> / and / , respectively, of the polyethylene chain in consideration of the exclusion volume of the skeleton atoms is smaller than that of / of the polyethylene chain excluding the exclusion volume And / , extrapolated from near the chain length of N = 400, the ratio of long chain limit : : is about 1: 3.0: 14.5 irrespective of the repulsion volume Polyethylene chain with a value of about 1: 2.7: 12.0 Considering the rejection volume of the polyethylene chain Moment of inertia The limit of the mean value of the angle between the longest principal axis and the end distance vector is <25