Water absorption in polyethylene under external electric fields

Monte Carlo simulations of the solubility and structure of water in polyethylene in thermodynamic equilibrium with liquid water were performed in external fields ranging from 2 x 10(5) to 4 x 10(9) V/m. For a given equilibrium temperature and pressure, the water solubility decreases at higher fields. This occurs since it is energetically favorable for water molecules to be in the pure water phase than in the polyethylene matrix at high field strengths, and results in an increased density in the water phase. However, fields relevant to high voltage conduction (in the absence of defects that can lead to large local field strengths) do not change the solubility. In addition, at large fields the number of water clusters decreases for all cluster sizes. The rate of decrease is highest for large clusters, and a larger fraction of water molecules exist as monomers in the polyethylene matrix at high fields. Large fields also cause alignment of the water molecules, which leads to more clusters with linear topologies and hence an increase in the cluster radius of gyration.