Molecular modeling of electron trapping in polymer insulators

The presence of space charge in the polymeric insulation of high-voltage cables is correlated with electric breakdown. There is a vast literature concerned with the experimental characterization of space charge and with phenomenological models of space charge formation and discharge. However, a direct link between molecular properties, space charge formation and eventual breakdown has still to be established. In this paper, we suggest a new scheme that constitutes a first step in linking microscopic defects to the formation of space charge. Although our goal is to understand the role of defects at the molecular level in electron trapping and the formation of space charge in polyethylene, we start by considering a “model” material; the wax tridecane (n-C13H28). It is clear that both physical (e.g., conformational defects) and chemical defects (e.g., broken bonds) may be present in insulating materials and may both trap electrons. In the present paper, we focus on the role of physical defects. Our analysis ...

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