Effect of Electric Field Intensity on Microphysical Parameters of Natural Ester from the Perspective of Molecular Structure

Abstract

Natural ester, as a kind of renewable and environmental insulating material, has created broad opportunities for the development of electrical industry. To better explore the mechanism and principle of natural ester discharge, the effects of electrical field the space configuration, ionization energy, excitation energy and frontier orbital of the natural ester molecules were studied by density functional theory. The results show that the natural ester molecular chains deflect toward the electric field and its dipole moment increases with the increase of electric field intensity. The ionization energy of natural ester molecules decreases significantly with increasing electric field intensity. Among all molecules, the ionization energy of glycerol triolein has the most obvious decrease. The electric field has great influence on the excitation process of natural ester. The excitation energy of natural ester molecules will decrease in different electrical field. The HOMO of natural ester molecules gradually moved in the direction of the electric field, while its LUMO gradually moved towards the source of the electric field. The energy gap of natural ester decreased significantly under the influence of electric field. This paper provides a strong theoretical guidance for the research of natural ester discharge and improving its breakdown voltage.