Difference between revisions of "ST2 model of water"

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*[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)]
 
*[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)]
 
*[http://dx.doi.org/10.1063/1.4775738  Peter H. Poole, Richard K. Bowles, Ivan Saika-Voivod, and Francesco Sciortino "Free energy surface of ST2 water near the liquid-liquid phase transition", Journal of Chemical Physics '''138''' 034505 (2013)]
 
*[http://dx.doi.org/10.1063/1.4775738  Peter H. Poole, Richard K. Bowles, Ivan Saika-Voivod, and Francesco Sciortino "Free energy surface of ST2 water near the liquid-liquid phase transition", Journal of Chemical Physics '''138''' 034505 (2013)]
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*[https://doi.org/10.1080/00268976.2018.1442595 Jingxiang Guo, Rakesh S. Singh and Jeremy C. Palmer "Anomalous scattering in supercooled ST2 water", Molecular Physics '''116''' pp. 1953-1964 (2018)]
  
  
 
[[category: water]]
 
[[category: water]]
 
[[category: models]]
 
[[category: models]]

Latest revision as of 10:52, 9 July 2018

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[edit]

Temperature of maximum density[edit]

See: a table of water TMD values.

Liquid-liquid critical point[edit]

The ST2 model has a liquid-liquid transition [2]. Liu, Panagiotopoulos, and Debenedetti [3] have located the critical point of the liquid-liquid transition of the ST2 model [4] to be at a temperature of T_c = 237 \pm 4 ~\mathrm{K}, a density of \rho_c = 0.99 \pm 0.02 ~\mathrm{g/cm}^3 and a pressure of p_c = 167 \pm 24 ~\mathrm{MPa}. This finding is supported in the work of Sciortino, Saika-Voivod and Poole [5].

Phase diagram[edit]

[6].

References[edit]

Related reading