Theoretical Study on the Design of a New Byproduct Free XLPE ‐Based Insulation Functional Network Based on Click Chemistry: A Viable Alternative to Peroxide Cross‐Linking

ABSTRACT The cross‐linked polyethylene (XLPE) is usually applied in high‐voltage direct‐current power cable insulation. The electrical conductivity of the insulation material can be increased by the byproducts based on dicumyl peroxide (DCP) process. A new functional structure was designed to prepare XLPE‐based insulation materials without byproducts and the reaction mechanism and process were theoretically studied. The reaction potential energy information is obtained at B3LYP/6‐311 + G( d,p ) level. Results demonstrate that the 3,5‐disubstituted acetophenone epoxy‐g‐Ap‐g‐epoxy can be used as dual‐functional additives of voltage stabilizer and cross‐linker. The cross‐linking reactivity on the three attacking patterns of nucleophilic reagent is in order of CH site by O on carbonyl groups > CH 2  site by O on carbonyl groups > CH 2  site by O on hydroxyl groups. The byproducts‐free dual‐functional structure design of XLPE‐based insulation PE‐g‐Ap‐g‐PE opens up the possibility to replace DCP cross‐linking and would be beneficial to further design thermoplastic insulation materials.