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The presence of space charge in the polymeric insulation of high voltage cables is correlated with electric breakdown. A direct link between molecular properties, space charge formation and eventual breakdown has still to be established.A new scheme that constitutes a first step in linking microscopic defects to the formation of space charge is suggested. The goal is to understand the role of defects at the molecular level in electron trapping and the formation of space charge in polyethylene. The analysis suggests that by defining the defect energy in terms of the molecular electron...

Using successful case studies as a framework, this volume demonstrates the capability of molecular modeling to tackle problems of industrial relevance. The book presents a wide range of various modeling techniques, from ab initio methods to classical potentials and molecular dynamics. The text also explores a wide range of materials, from soft materials such as polymeric blends that are widely employed in the chemical industry to hard or inorganic materials such as glasses and alumina. Modellers and scientists interested in learning how modeling can help them will find this an ideal resource.