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- W1551364856 abstract "It is commonly known that water plays a crucial role in many natural and industrial processes. Oneof these processes is the formation of water trees, and the subsequent breakdown of polyethyleneused for high voltage cable insulation purposes. It has been shown by others that the mechanism forwater molecules diffusing through amorphous polyethylene includes the formation of small waterclusters.Gibbs Ensemble Monte Carlo molecular simulations have been performed to study the clustering ofvapour phase water under vapour - liquid equilibrium conditions at temperatures ranging from 300K to 600 K. The increase in vapour density with increasing temperature leads to a radical increase inthe fraction of molecules belonging to clusters with two or more water molecules. It is also seen thatthe size of the clusters increases with temperature. The topologies of the smaller clusters, up topentamers, have also been studied. A structural transition is observed from a large percentage withcyclic topology, which is the minimum energy configuration, at lower temperatures topredominantly linear clusters, favoured by entropic effects, at higher temperatures.Similar water properties have been obseved in simulations where the vapour phase has beenreplaced with a hydrocarbon rich phase (n-alkanes and polyethylene). Application of an externalelectric field to the polymer system reduces the water solubility and affects the water structure.A dramatic increase in water solubility in the hydrocarbon phase is observed when two oppositelycharged ions are introduced in the hydrocarbon. The structure of the water changes from severalsmall clusters, in the absence of ions, to a single large cluster with a rod-like shape. The cluster isextremely stable during the simulation. Application of an external electric field may enhance orreduce the effect of the ions depending on the direction of the field.Based on these observations is an alternative mechanism for water tree propagation proposed." @default.
- W1551364856 created "2016-06-24" @default.
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- W1551364856 date "2007-01-01" @default.
- W1551364856 modified "2023-09-27" @default.
- W1551364856 title "Simulations of Water Clustering in Vapour, Hydrocarbons and Polymers" @default.
- W1551364856 hasPublicationYear "2007" @default.
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