聚醚醚酮微结构及反应特性的量子化学研究  

Quantum Chemical Studies on Microstructure and Reaction Characteristics of Poly(ether ether ketone)

作　　者：牛利[1] 郭纯孝[1] 黄东律 蒋大振[1] 王彩霞[1] 张万金[1] 

机构地区：[1]吉林大学化学系,长春130023

出　　处：《高等学校化学学报》1993年第8期1115-1117,共3页Chemical Journal of Chinese Universities

摘　　要：利用AM1对聚醚醚酮重复单元进行条件优化,得出了此分子的最优构型,明确了聚醚醚酮分子链的微观构象,并在此构象基础上进行量子化学计算,给出了健序、净电荷、前线轨道等信息,从理论上研究了聚醚醚酮的磺化反应及热分解反应的一些特性.We use AM1 programs to optimize the structure of repeat unit of poly (ether ether ke-tone) and to derive complete microconformation of PEEK molecule chain from it. Using information of bond order, net charge and frontier orbitals that are made out from quantum chemical calculation based on optimized structure of repeat unit, we studied a few characteristics of sulphona-tion reaction and pyrolysis reaction theoretically.

关 键 词：聚醚醚酮 磺化 热分解 结构 

分 类 号：O632.4[理学—高分子化学]