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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]].
| | {{Stub-water}} |
| ==Parameters==
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| ==Temperature of maximum density==
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| See: [[Liquid phase density maximum#Water | a table of water TMD values]].
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| ==Liquid-liquid critical point==
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| The ST2 model has a [[Liquid-liquid phase transitions | liquid-liquid transition]] <ref>[http://dx.doi.org/10.1038/nature13405 Jeremy C. Palmer, Fausto Martelli, Yang Liu, Roberto Car, Athanassios Z. Panagiotopoulos and Pablo G. Debenedetti "Metastable liquid–liquid transition in a molecular model of water", Nature '''510''' pp. 385-388 (2014)]</ref>.
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| Liu, Panagiotopoulos, and Debenedetti
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| <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>
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| have located the [[Critical points |critical point]] of the liquid-liquid transition of the ST2 model
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| <ref>[http://dx.doi.org/10.1063/1.4769126 Yang Liu, Jeremy C. Palmer, Athanassios Z. Panagiotopoulos, and Pablo G. Debenedetti "Liquid-liquid transition in ST2 water", Journal of Chemical Physics '''137''' 214505 (2012)]</ref>
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| 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>. This finding is supported in the work of Sciortino, Saika-Voivod and Poole <ref>[http://dx.doi.org/10.1039/C1CP22316J Francesco Sciortino, Ivan Saika-Voivod and Peter H. Poole "Study of the ST2 model of water close to the liquid–liquid critical point", Phys. Chem. Chem. Phys. '''13''' pp. 19759-19764 (2011)]</ref>.
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| ==Phase diagram==
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| <ref>[http://dx.doi.org/10.1080/00268976.2015.1043966 Frank Smallenburg, Peter H. Poole and Francesco Sciortino "Phase diagram of the ST2 model of water", Molecular Physics '''113''' pp. 2791-2798 (2015)]</ref>.
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| ==References== | | ==References== |
| <references/>
| | #[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)] |
| '''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)]]
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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)]
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| *[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)]
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| [[category: water]] | | [[category: water]] |
| [[category: models]] | | [[category: models]] |