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- W2984103170 abstract "We introduce a simple polar fluid model for the thermodynamics of dense supercritical water based on a Buckingham (exp-6) core and point dipole representation of the water molecule. The proposed exp6-polar thermodynamics, based on ideas originally applied to dipolar hard spheres, performs very well when tested against molecular dynamics simulations. Comparisons of the model predictions with experimental data available for supercritical water yield excellent agreement for the shock Hugoniot, isotherms and sound speeds, and are also quite good for the self-diffusion constant and relative dielectric constant. We expect the present approach to be also useful for other small polar molecules and their mixtures." @default.
- W2984103170 created "2019-11-22" @default.
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- W2984103170 date "2007-12-13" @default.
- W2984103170 modified "2023-09-27" @default.
- W2984103170 title "Exp6-polar thermodynamics of dense supercritical water" @default.
- W2984103170 hasPublicationYear "2007" @default.
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