功能基聚硅氧烷摩尔折射度的计算与分子结构设计  

Molar refraction calculation of polysiloxane molecule with functional group and design of molecular structure

作　　者：尚丽坤[1] 邓建国 邓志华 赖妮 纪兰香 高利珍[1] 

机构地区：[1]太原理工大学环境科学与工程学院,太原030024 [2]四川省新材料研究中心,成都610200

出　　处：《化工新型材料》2016年第1期208-210,共3页New Chemical Materials

摘　　要：利用修正原子贡献法原理,设计并计算具有不同功能基的聚硅氧烷摩尔折射度,以此为依据设计并合成了系列高苯基室温硫化聚硅氧烷,将合成产物摩尔折射率与计算的摩尔折射度进行比较。结果表明:利用修正原子贡献法原理计算的聚硅氧烷分子折射度与合成产物实测折射率具有高度一致性;分子结构中,基团体积越大,其含量变化对分子折射率影响也越大。Modified atom contribution method was used for calculating molar refraction of the polysiloxane with different functional groups.On this basis,RTV silicone with high phenyl was designed and synthesized.Comparing the refractive index of measured and calculated the molar refraction,the result showed that the molar refraction calculated by modified atom contribution method is in highly keeping with the real refractive index of the synthetic silicone rubber.For the molecular structure,the lager the volume group is,the more contribution of its content makes to the molecular refractive index.

关 键 词：聚硅氧烷 摩尔折射度 修正原子贡献法 分子结构设计 

分 类 号：O634.41[理学—高分子化学]