Volumetric behaviour of water under high pressure at subzero temperature

Sotani, T.; Arabas, J.; Kubota, Hirokazu; Kijima, Masamichi; Asada, Shoji

doi:10.1068/htwu318

Cited by 32 publications

(34 citation statements)

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“…Regarding point (v), recent density measurements below 0 • C at high pressures (Sotani et al, 2000;Asada et al, 2002) agree with IAPWS-95 within 0.05% over the oceanographic pressure range up to 100 MPa. As is evident from Fig.…”

Section: Metastable Liquid Watermentioning

confidence: 61%

Mutually consistent thermodynamic potentials for fluid water, ice and seawater: a new standard for oceanography

Feistel

Wright

Miyagawa³

et al. 2008

Ocean Sci.

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Abstract.A new seawater standard for oceanographic and engineering applications has been developed that consists of three independent thermodynamic potential functions, derived from extensive distinct sets of very accurate experimental data. The results have been formulated as Releases of the International Association for the Properties of Water and Steam, IAPWS (1996, 2006 and are expected to be adopted internationally by other organizations in subsequent years. In order to successfully perform computations such as phase equilibria from combinations of these potential functions, mutual compatibility and consistency of these independent mathematical functions must be ensured. In this article, a brief review of their separate development and ranges of validity is given. We analyse background details on the conditions specified at their reference states, the triple point and the standard ocean state, to ensure the mutual consistency of the different formulations, and the necessity and possibility of numerically evaluating metastable states of liquid water. Computed from this formulation in quadruple precision (128-bit floating point numbers), tables of numerical reference values are provided as anchor points for the consistent incorporation of additional potential functions in the future, and as unambiguous benchmarks to be used in the determination of numerical uncertainty estimates of doubleprecision implementations on different platforms that may be customized for special purposes.

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Section: Metastable Liquid Watermentioning

confidence: 61%

Mutually consistent thermodynamic potentials for fluid water, ice and seawater: a new standard for oceanography

Feistel

Wright

Miyagawa³

et al. 2008

Ocean Sci.

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“…However even at 200 MPa conductivity of HDA ice is lower than those of hexagonal and cubic ices by factors of approximately 7 and 5 respectively (Andersson & Suga, 2002). At the same time differences in density (Sotani et al , 2000) and specific heat capacity (Handa & Klug, 1988, Yurtseven & Kurt, 2010) between crystalline (hexagonal or cubic) ice and HDA are much smaller. Thus the thermal diffusivity of crystalline ice is always higher than of HDA, so crystallization will always cause some increase in cooling rate.…”

Section: Resultsmentioning

confidence: 99%

Crystalline ice as a cryoprotectant: theoretical calculation of cooling speed in capillary tubes

Yakovlev

Downing

2011

Journal of Microscopy

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It is generally assumed that vitrification of both cells and the surrounding medium provides the best preservation of ultrastructure of biological material for study by electron microscopy. At the same time it is known that the cell cytoplasm may provide substantial cryoprotection for internal cell structure even when the medium crystallizes. Thus vitrification of the medium is not essential for good structural preservation. In contrast, a high cooling rate is an essential factor for good cryopreservation because it limits phase separation and movement of cellular components during freezing, thus preserving the native-like state. Here we present calculations of freezing rates that incorporate the effect of medium crystallization, using finite difference methods. We demonstrate that crystallization of the medium in capillary tubes may increase the cooling rate of suspended cells by a factor of 25-300 depending on the distance from the center. We conclude that crystallization of the medium, for example due to low cryoprotectant content, may actually improve cryopreservation of some samples in a near native state.

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“…Symbols are experimental data reported in Refs. [6] (crosses), [94] (open red circles), and [95] (filled blue diamonds). TH indicates the homogeneous nucleation line.…”

Section: Water-like Models Versus Real Watermentioning

confidence: 99%

Two-state thermodynamics and the possibility of a liquid-liquid phase transition in supercooled TIP4P/2005 water

Singh

Biddle

Debenedetti

et al. 2016

The Journal of Chemical Physics

165

173

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Water shows intriguing thermodynamic and dynamic anomalies in the supercooled liquid state. One possible explanation of the origin of these anomalies lies in the existence of a metastable liquid-liquid phase transition (LLPT) between two (high and low density) forms of water. While the anomalies are observed in experiments on bulk and confined water and by computer simulation studies of different water-like models, the existence of a LLPT in water is still debated. Unambiguous experimental proof of the existence of a LLPT in bulk supercooled water is hampered by fast ice nucleation which is a precursor of the hypothesized LLPT. Moreover, the hypothesized LLPT, being metastable, in principle cannot exist in the thermodynamic limit (infinite size, infinite time). Therefore, computer simulations of water models are crucial for exploring the possibility of the metastable LLPT and the nature of the anomalies. In this work, we present new simulation results in the NVT ensemble for one of the most accurate classical molecular models of water, TIP4P/2005. To describe the computed properties and explore the possibility of a LLPT, we have applied two-structure thermodynamics, viewing water as a non-ideal mixture of two interconvertible local structures ("states"). The results suggest the presence of a liquid-liquid critical point and are consistent with the existence of a LLPT in this model for the simulated length and time scales. We have compared the behavior of TIP4P/2005 with other popular water-like models, namely, mW and ST2, and with real water, all of which are well described by two-state thermodynamics. In view of the current debate involving different studies of TIP4P/2005, we discuss consequences of metastability and finite size in observing the liquid-liquid separation. We also address the relationship between the phenomenological order parameter of two-structure thermodynamics and the microscopic nature of the low-density structure.

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Volumetric behaviour of water under high pressure at subzero temperature

Cited by 32 publications

References 0 publications

Mutually consistent thermodynamic potentials for fluid water, ice and seawater: a new standard for oceanography

Mutually consistent thermodynamic potentials for fluid water, ice and seawater: a new standard for oceanography

Crystalline ice as a cryoprotectant: theoretical calculation of cooling speed in capillary tubes

Two-state thermodynamics and the possibility of a liquid-liquid phase transition in supercooled TIP4P/2005 water

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