A Monte Carlo simulation study of water and hydrocarbons aiming at understanding the degradation of polyethylene cable insulation is presented. The equilibrium distributions and clustering of water in vapour and in hydrocarbons was investigated using Gibbs ensemble Monte-Carlo simulations. Different combinations of water and hydrocarbon models are investigated in order to reproduce experimental densities of water and hydrocarbons in both the water phase and the hydrocarbon phase. © Springer-Verlag Berlin Heidelberg 2007.
CITATION STYLE
Johansson, E., & Ahlström, P. (2007). Atomistic simulation studies of polymers and water. In Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) (Vol. 4699 LNCS, pp. 59–65). Springer Verlag. https://doi.org/10.1007/978-3-540-75755-9_7
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