ST2 model of water

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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.

[edit] Parameters

[edit] Temperature of maximum density

See: a table of water TMD values.

[edit] 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 \(T_c = 237 \pm 4 ~\mathrm{K}\), 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 ^[3].

[edit] References

Related reading

[0] Frank H. Stillinger and Aneesur Rahman "Improved simulation of liquid water by molecular dynamics", Journal of Chemical Physics 60 pp. 1545-1557 (1974)

[1] Yang Liu, Athanassios Z. Panagiotopoulos, and Pablo G. Debenedetti "Low-temperature fluid-phase behavior of ST2 water", Journal of Chemical Physics 131 104508 (2009)

[2] 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)

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ST2 model of water

Contents

[edit] Parameters

[edit] Temperature of maximum density

[edit] Liquid-liquid critical point

[edit] References

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