ST2 model of water: Difference between revisions
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ST2 is a model for simulations of water [1]. The ST2 model is based on the earlier Ben-Naim and Stillinger model, known as the BNS model.
Parameters
Temperature of maximum density
See: a table of water TMD values.
Liquid-liquid critical point
Liu, Panagiotopoulos, and Debenedetti [2] have located the critical point of the liquid-liquid transition to be at a temperature of Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle T_c = 237 \pm 4 ~\mathrm{K}} , a density of Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \rho_c = 0.99 \pm 0.02 ~\mathrm{g/cm}^3} and a pressure of Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle p_c = 167 \pm 24 ~\mathrm{MPa}} .
References
- ↑ Frank H. Stillinger and Aneesur Rahman "Improved simulation of liquid water by molecular dynamics", Journal of Chemical Physics 60 pp. 1545-1557 (1974)
- ↑ Yang Liu, Athanassios Z. Panagiotopoulos, and Pablo G. Debenedetti "Low-temperature fluid-phase behavior of ST2 water", Journal of Chemical Physics 131 104508 (2009)
Related reading