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> | |||
==Liquid-liquid critical point== | |||
Liu, Panagiotopoulos, and Debenedetti | |||
<ref>[http://dx.doi.org/10.1063/1.3229892 Yang Liu, Athanassios Z. Panagiotopoulos, and Pablo G. Debenedetti "Low-temperature fluid-phase behavior of ST2 water", Journal of Chemical Physics '''131''' 104508 (2009)]</ref> | |||
have located the [[Critical points |critical point]] of the [[Liquid-liquid phase transitions | liquid-liquid transition]] to be at | |||
a [[temperature]] of <math>T_c = 237 \pm 4 ~\mathrm{K}</math>, a [[density]] of <math>\rho_c = 0.99 \pm 0.02 ~\mathrm{g/cm}^3</math> and a [[pressure]] of <math>p_c = 167 \pm 24 ~\mathrm{MPa}</math>. | |||
==References== | ==References== | ||
<references/> | |||
'''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)]] | |||
[[category: water]] | [[category: water]] | ||
[[category: models]] | [[category: models]] | ||
Revision as of 17:15, 16 September 2009
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ST2 is a model for simulations of water [1]
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 , a density of and a pressure of .
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