Abstract
Further theoretical investigation on the reaction behaviour of triallyl isocyanurate (TAIC) in the UV radiation cross-linking process of polyethylene (PE) is accomplished by density functional theory for high voltage cable insulation materials. The reaction potential energy information of the 13 reaction channels at B3LYP/6–311 + G(d,p) level are identified. These have been explored that the TAIC take part in the reaction behaviour on ground state during UV radiation cross-linking process and TAIC intra-molecular isomerization reaction itself. In addition, the results show that the effect of multiplication and acceleration for the cross-linking reaction of trimethylopropane trimethacrylate (TMPTMA) would be better than that of TAIC. It has further clarified the reasons why UV radiation cross-linking reaction of PE had been initiated by benzophenone (Bp), and the TAIC or TMPTMA needed to take part. The results obtained in the present study could directly guide both the optimization of UV radiation cross-linking PE process and the development of the insulation material of high-voltage cable in real application.
Highlights
Cross-linked polyethylene (XLPE) has been widely applied as high voltage cable insulation materials due to its excellent electrical and mechanical properties
The 13 possible chemical reaction equations of triallyl isocyanurate (TAIC) and trimethylopropane trimethacrylate (TMPTMA) at the ground state with Pe or Bp are listed in table 2
The optimized structures of the reactants, products and transition states involved in these reaction channels at the B3LYP/6–311 + G(d,p) level are presented in figure 1
Summary
Cross-linked polyethylene (XLPE) has been widely applied as high voltage cable insulation materials due to its excellent electrical and mechanical properties. Experimental results showed that the rate for cross-linking of PE with photo-initiator benzophenone (Bp) by UV radiation is lower than that with multi-functional cross-linker 1,3,5-triallyl isocyanurate (TAIC) participating. The molecular formula of the mentioned abbreviations of radical (Pe2, PTAIC and PTAIC1) are listed in table 1 These results explain the experiential phenomenon successfully; this is why the UV radiation cross-linking reaction of PE can be initiated by Bp, and the cross-linking rate grade has been multiplied by TAIC. The obtained results are important for the optimization of UV radiation cross-linking PE process or the selection of multi-functional cross-linker, and for the development of high voltage cable in real application
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