标题:Theoretical investigation of the hydrolytic mechanism of α-functionalized alkoxysilanes as effective crosslinkers and the difficulty of deep vulcanization in RTV silicone rubber
作者:Xu, Huihui ;Gao, Yanhong ;Liu, Zihou ;Bei, Yiling
作者机构:[Xu, Huihui ;Gao, Yanhong ;Liu, Zihou ;Bei, Yiling ] Key Laboratory of Special Functional Aggregated Materials, Ministry of Education, School of Chemi 更多
通讯作者:Bei, Yiling
来源:Materials
出版年:2018
卷:11
期:9
DOI:10.3390/ma11091526
摘要:The reactions between α-, γ -ethylenediaminemethyl trimethyl-ketoxime silane (α-, γ-EAMOS) and H2O were investigated on the geometries of stationary points, the reaction pathway (IRC), thermodynamic and kinetic analysis by density functional theory (DFT) at the B3LYP/6-311G (d, p) level. Interestingly, the results showed that the hydrolysis activity of α-EAMOS is higher than that of -EAMOS, due to the influence of an amino substituent in position α-C on silicon. α-EAMOS can be used as a superior crosslinker for room temperature vulcanized (RTV) silicone rubber to achieve rapid crosslinking without a toxic catalyst. Besides, compared with the reaction between α-EAMOS and H2O, the reactivity between α-EAMOS and hydroxy siloxane (HO-Si(CH3)2-OSiH3) was discussed. Particularly, it revealed that the deep vulcanization of RTV silicone rubber is difficult.
© 2018 by the author.
收录类别:EI
资源类型:期刊论文
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