聚乙烯振动谱的研究

Study of vibrational spectra of polyethylene

将几种不同密度的聚乙烯看成具有二维晶格结构,利用晶格动力学的方法,考虑了链间耦合作用和链中单体间次近邻的相互作用,计算了其色散关系,模拟了相应的振动谱.讨论了随着密度从高到低,链间距从小到大,链间耦合作用逐渐减弱所产生的新的物理效应.

Using the method of lattice dynamics and considering interactions between lattice chains and monomer's sub-nearest neighbors,the polyethylene with different densities are taken as being two- dimensional crystal structure, so that its dispersion relation is calculated and corresponding vibrational spectra is imitated. With the changing of density degressively and interchain distance progressively, the coupling interaction between chains decreases gradually, and new physical effect is brought at the same time.