期刊论文

Wu Hongmei

中文

高等学校化学学报

0251-0790

2015

36

7

1416-1421

10.7503/cjcu20150201

(21104031):国家自然科学基金 (批准号:2014XCX10):南华大学研究生科研创新项目 (21104031):? Supported by the National Natural Science Foundation of China (2014XCX10):the Graduate Research and Innovation Program in Uni-versity of South China, China

本校为第一且通讯机构

设计了一类线型聚多联苯2,6-二甲酰对苯二胺聚合物,并对聚合物分子模型进行了计算机模拟,通过分子力学和力学性质模块的计算得到了聚多联苯2,6-二甲酰对苯二胺的一些力学参数.模拟结果表明,聚多联苯2,6-二甲酰对苯二胺类型芳酰胺聚合物通过自组装可以呈现类倒插蜂窝结构排列,除聚二联苯2, 6-二甲酰对苯二胺和聚三联苯2,6-二甲酰对苯二胺以外,该系列聚合物在xy平面内均具有负泊松比.

Poly(phenylenediamine-alt-2,6-diformyl multiphenyl) was designed. Combination of molecular mechanics (MM) and mechanic properties (MP) modules in Material Studio software were exploited to investigate the mechanical properties of the linear aromatic polyamides. The results show that the linear aromatic polyamides, namely poly(phenylenediamine-alt-2,6-diformyl multiphenyl) can be self assembled as inverted honey-comb like structures. Beyond poly(phenylenediamine-alt-2,6-diformyl biphenyl) and poly(phenylenediamine-alt-2,6-diformyl triphenyl), th...