Exp6-polar thermodynamics of dense supercritical water
Description:
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, iso…
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Date:
December 13, 2007
Creator:
Bastea, S & Fried, L E
Partner:
UNT Libraries Government Documents Department