ST2 model of water: Difference between revisions
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'''ST2''' is a [[Models |model]] for [[Computer simulation techniques |simulations]] of [[water]] <ref>[http://dx.doi.org/10.1063/1.1681229 Frank H. Stillinger and Aneesur Rahman "Improved simulation of liquid water by molecular dynamics", Journal of Chemical Physics '''60''' pp. 1545-1557 (1974)]</ref>. The ST2 model is based on the earlier Ben-Naim and Stillinger model, known as the [[Ben-Naim models of water |BNS model]]. | '''ST2''' is a [[Models |model]] for [[Computer simulation techniques |simulations]] of [[water]] <ref>[http://dx.doi.org/10.1063/1.1681229 Frank H. Stillinger and Aneesur Rahman "Improved simulation of liquid water by molecular dynamics", Journal of Chemical Physics '''60''' pp. 1545-1557 (1974)]</ref>. The ST2 model is based on the earlier Ben-Naim and Stillinger model, known as the [[Ben-Naim models of water |BNS model]]. | ||
==Parameters== | ==Parameters== | ||
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'''Related reading''' | '''Related reading''' | ||
*[http://dx.doi.org/10.1063/1.464103 Teresa Head-Gordon and Frank H. Stillinger "An orientational perturbation theory for pure liquid water", Journal of Chemical Physics '''98''' pp. 3313-3327 (1993)]] | *[http://dx.doi.org/10.1063/1.464103 Teresa Head-Gordon and Frank H. Stillinger "An orientational perturbation theory for pure liquid water", Journal of Chemical Physics '''98''' pp. 3313-3327 (1993)]] | ||
*[http://dx.doi.org/10.1103/PhysRevLett.106.115706 Megan J. Cuthbertson and Peter H. Poole "Mixturelike Behavior Near a Liquid-Liquid Phase Transition in Simulations of Supercooled Water", Physical Review Letters '''106''' 115706 (2011)] | |||
[[category: water]] | [[category: water]] | ||
[[category: models]] | [[category: models]] | ||
Revision as of 14:37, 18 May 2011
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
- Teresa Head-Gordon and Frank H. Stillinger "An orientational perturbation theory for pure liquid water", Journal of Chemical Physics 98 pp. 3313-3327 (1993)]
- Megan J. Cuthbertson and Peter H. Poole "Mixturelike Behavior Near a Liquid-Liquid Phase Transition in Simulations of Supercooled Water", Physical Review Letters 106 115706 (2011)