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Formation of rodlike structures of water between oppositely charged ions in decane and polyethylene

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Formation of rodlike structures of water between oppositely charged ions in decane and polyethylene (EN)
Theodorou, DN (EN)
Johansson, E (EN)
Ahlstrom, P (EN)
Bolton, K (EN)
journalArticle (EN)
2014-03-01T01:26:22Z
2007 (EN)
The Gibbs ensemble Monte Carlo method has been combined with the connectivity altering osmotic Gibbs ensemble to study water solubility and clustering in decane and polyethylene. We show that the presence of oppositely charged ion pairs that have fixed positions in the hydrocarbon matrices leads to an order of magnitude increase in the water solubility. This is important to a wide range of technical applications, since the uptake of the water leads to an increase in volume-or expansion-of the hydrocarbon phase which, in the case of polyethylene, may change the polymer properties and lead to water treeing. The increase in solubility is largest when the ions are sufficiently close so that rod-shaped clusters of water molecules form between the ions. (c) 2007 American Institute of Physics. (EN)
Physics, Atomic, Molecular & Chemical (EN)
Charged ions (EN)
Polyethylenes (EN)
Gibbs free energy (EN)
Monte Carlo methods (EN)
Solubility (EN)
Hydrocarbons (EN)
Water solubility (EN)
Ion sources (EN)
Hydrocarbon matrices (EN)
Rodlike structures (EN)
Journal of Chemical Physics (EN)
English
AMER INST PHYSICS (EN)
National Technical University of Athens
Digital Library of National Technical University of Athens | Dspace@NTUA
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