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- W2048178045 abstract "The thermal conductivity and shear viscosity of water are evaluated for eight rigid water models with reverse non-equilibrium molecular dynamics (RNEMD). Specific heats under constant volume and constant pressure are calculated within NVT and NPT ensembles. The five-site models (TIP5P and TIP5P-Ew) can predict thermal conductivity more accurately than other rigid water models. It appears that TIP5P-Ew is the best potential to predict the trend of the thermal conductivity. Both five-site models can accurately predict shear viscosity values as well as its trends along with temperature. Three-site model (TIP3P) has better performance in calculating specific heats." @default.
- W2048178045 created "2016-06-24" @default.
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- W2048178045 date "2012-07-01" @default.
- W2048178045 modified "2023-10-12" @default.
- W2048178045 title "Thermal conductivity, shear viscosity and specific heat of rigid water models" @default.
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- W2048178045 doi "https://doi.org/10.1016/j.cplett.2012.05.044" @default.
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