Salt crosslinked polyethylene molecular structure under external electric field and method of analyzing construction of salt crosslinked polyethylene molecular structure under external electric field

Abstract

The invention relates to a change rule of a salt crosslinked polyethylene molecular structure under an external electric field. According to the change rule, firstly, a crosslinked polyethylene molecular module of a carboxylate (-COOZn2+OOC-) structural salt bridge is constructed by using molecular simulation software; and a polyethylene single chain uses 13 alkane structures. An initial molecularstructure is optimized by using a Minnesota function; the external electric field is applied to the optimized molecular structure, and the optimized molecular structure is structurally optimized, sothat the stable molecular structures under different external electric fields is obtained. The salt cross-linked polyethylene molecular structure and energy change under the action of different external electric fields, and the method analyzes the influence of the external electric fields on the energy level and composition of a frontier orbit, and the change of the bond order between atoms, broken bonds and a red-light spectrum. Compared with commonly used experimental methods, the change rule of the salt crosslinked polyethylene molecular structure under the external electric field has the advantages of no loss, cost saving, simplicity, and easy operation, reveals the relationship between the microstructure and the external electric field, and provides theoretical basis and data basis for future experimental research and microscopic research.

Description

technical field [0001] The invention relates to the change law of the molecular structure of salt cross-linked polyethylene under an external electric field, and relates to the field of high-voltage transmission cable insulation aging. Background technique [0002] Polyethylene and cross-linked polyethylene have become the most important insulating materials for power cables due to their excellent electrical properties, mechanical properties and process properties. With the development of high-voltage direct current transmission technology and the requirements of large-scale long-distance power transmission and new energy consumption, polyethylene and cross-linked polyethylene are gradually being used in high-voltage direct current cable insulation. When the polymer is under the long-term action of high electric field, the dissociation of these impurities will easily lead to the accumulation of space charges inside the polymer, which can cause serious distortion of the local...

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Problems solved by technology

However, there are few reports on the analysis of molecular structure changes and properties of XLPE under an external electric field from the microscopic perspective of molecular simulation.

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