Calculation of limiting young's moduli of rigid-rod polymers including poly-p-phenylene benzobisthiazole (PBT)
Calculation of limiting young's moduli of rigid-rod polymers including poly-p-phenylene benzobisthiazole (PBT)
复制标题
包括聚对亚苯基苯并双噻唑 (PBT) 在内的刚性棒聚合物极限杨氏模量的计算
DOI：
10.2115/fiber.43.2_78
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发表时间：
1987
期刊：
影响因子：
--
通讯作者：
Masamichi Kobayashi
中科院分区：
文献类型：
--
作者：
K. Tashiro;Masamichi Kobayashi
基于晶格动力学理论计算了几种刚性棒状聚合物沿链向的极限杨氏模量沿着：聚对苯撑苯并双噻唑（PBT）为371.0 GPa（宏观模量ca. 250 GPa），聚对苯撑为275.1 GPa，聚对苯并双噻唑为588.3 GPa，聚对苯撑均苯四酸酰亚胺为505.3 GPa（宏观模量约为250 GPa）。130GPa）。这些聚合物之间的杨氏模量的差异进行了讨论的基础上的原子位移和势能分布计算的拉伸变形的链。对PBT的红外和拉曼光谱进行了初步的谱带归属，以检验上述计算中所用力场的适当性。
Limiting Young's modulus along the chain direction has been calculated based on the lattice dynamical theory for the several rigid-rod polymers: 371.0 GPa for poly-p-phenylene benzobisthiazole (PBT) (macroscopic modulus ca. 250 GPa), 275.1GPa for poly-p-phenylene, 588.3GPa for poly-pbenzobisthiazole, and 505.3GPa for poly-p-phenylene pyromellitimide (macroscopic modulus ca. 130GPa). The difference in the Young's modulus among these polymers has been discussed based on the atomic displacements and potential energy distribution calculated for the tensile deformation of the chains. Tentative band assignments of the infrared and Raman spectra of PBT were made in order to check the propriety of the force field used in the above calculation.