Abstract
Theoretical investigation on the reactions of the maleimide and its derivatives in the UV radiation cross-linking of polyethylene is accomplished by density functional theory. The reaction potential energy surface information of 12 reaction channels is determined at the B3LYP/6-311+G(d,p) level. The highest occupied molecular orbital-lowest unoccupied molecular orbital energy gaps, ionization potentials, and electron affinities of the maleimide and its derivatives are obtained. The calculated results show that the maleimide and its derivatives can be grafted to polyethylene chain during the UV radiation process. In addition, the calculated results also show that the reaction energy barrier of 1,8-bismaleimidotriethylene glycol grafted to polyethylene is lower than that of N-phenylmaleimide, and 1,8-bismaleimidotriethylene glycol can be used as cross-linking agent. The bismaleimide grafted to polyethylene can also be used as space charge inhibitor. This survey for dual function additive is expected to provide reliable information for the development of UV radiation cross-linking polyethylene process and high-voltage insulation cables exceed 500 kV in real application.
Published Version
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