改性硅溶胶的制备及理论研究  

Preparation and Theoretical Research of Modified Silica Sol

作　　者：胡小华[1] 陈宣呈[1] 魏锡文[1] 

机构地区：[1]重庆大学化学化工学院,重庆400044

出　　处：《西南大学学报（自然科学版）》2013年第1期113-118,共6页Journal of Southwest University(Natural Science Edition)

基　　金：国家自然科学青年基金资助项目(51107152)

摘　　要：用改性前后的硅溶胶分别制备疏水防冰涂料,对其制备的涂料性能进行了比较,并采用了量子化学RHF方法和6-31G基组对成膜物质硅溶胶及改性硅溶胶进行计算,并对相应的轨道能量和集居数进行了分析.结果表明:改性的硅溶胶涂料具有良好的性能,理论计算得出改性使其能隙加宽、Si—O键强增大,有利于涂料膜层的稳定牢固,从而提高了涂料的憎水性.Hydrophobic anti-icng coatings were prepared with modified and non-modified silica sol, and the properties of the two products were compared The energy levels of the highest occupied molecule orbit and the lowest unoccupied molecule orbit of the modified silica sol were calculated with the methods of HFR and 6-31G base group. The results showed that modification improved the properties of the silica sol coating, widened its energy gap and made the Si--O bond more stable, thus enhancing its water repellent ability.

关 键 词：硅溶胶 改性 从头计算 

分 类 号：O641.3[理学—物理化学] TQ635.55[理学—化学]