Fluids with Several Phase Transitions

Hemmer, P. C.; Stell, G.

doi:10.1103/physrevlett.24.1284

Cited by 335 publications

(237 citation statements)

References 9 publications

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“…The possibility is that liquid water could at low temperatures condense not into a single phase-as we anticipate when a gas with a simple interaction like a Lennard-Jones potential condenses into a fluid-but into two different phases. This possibility was first raised by Takahashi 60 years ago and various elaborations of this model have been made by a number of people since then, including seminal work of Per Hemmer and George Stell in 1971 [7][8][9]. The implications of this is the possibility of two different liquid phases contributing to an increase in these fluctuations in specific volume and a negative contribution to the cross-fluctuations, negative because the deeper well has a larger volume and a lower entropy.…”

Section: What Do We Do?mentioning

confidence: 99%

The puzzling unsolved mysteries of liquid water: Some recent progress

Stanley

Kumar

et al. 2007

Physica A: Statistical Mechanics and its Applications

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Water is perhaps the most ubiquitous, and the most essential, of any molecule on earth. Indeed, it defies the imagination of even the most creative science fiction writer to picture what life would be like without water. Despite decades of research, however, water's puzzling properties are not understood and 63 anomalies that distinguish water from other liquids remain unsolved. We introduce some of these unsolved mysteries, and demonstrate recent progress in solving them. We present evidence from experiments and computer simulations supporting the hypothesis that water displays a special transition point (which is not unlike the ''tipping point'' immortalized by Malcolm Gladwell). The general idea is that when the liquid is near this ''tipping point,'' it suddenly separates into two distinct liquid phases. This concept of a new critical point is finding application to other liquids as well as water, such as silicon and silica. We also discuss related puzzles, such as the mysterious behavior of water near a protein. r

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Section: What Do We Do?mentioning

confidence: 99%

The puzzling unsolved mysteries of liquid water: Some recent progress

Stanley

Kumar

et al. 2007

Physica A: Statistical Mechanics and its Applications

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“…The importance of this task argues for a strong effort in implementing MD programs for waterlike potentials on new powerful parallel computers. Analytical work on simple potentials showing a density maximum should also be pursued; already such approaches have revealed a rich set of possible behaviors [16][17][18][19][20][34][35][36][37] ]. If our data are confirmed by these extensive checks, then it will become important to perform experiments as close as possible to the new critical point, which according to the P and T shift used above, should be located in real water at T = 185 K and P = 120 Pa. At the same time, we hope that measurements in the stretched region can be extended to search for the change in slope of the line of density maxima [38 ].…”

Section: A New Critical Point?mentioning

confidence: 99%

Is there a second critical point in liquid water?

Stanley

Angell

Essmann

et al. 1994

Physica A: Statistical Mechanics and its Applications

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The supercooled and stretched regions of the phase diagram of simulated liquid water are investigated by calculating the equation of state of the ST2 and TIP4P pair-potentials. We find that simulated water does not display a re-entrant spinodal and that the projection of the density maximum line in the plane of pressure and temperature becomes positively sloped on stretching. The well-known anomalous behavior of supercooled water is tentatively associated with the existence of an inaccessible critical point. Evidence is presented that suggests the association of this new critical point with the transition between low density and high density amorphous solid water. We show how the observed transformation behavior of the two forms of amorphous solid water can be explained in terms of a first order phase transition, via a consideration of the limits of metastability associated with this kind of transition, and support this interpretation with simulations of the amorphous solid. We therefore propose a phase diagram which accounts for the behavior of both liquid and amorphous solid water.

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“…Theoretical studies have long predicted liquid-liquid transitions for a variety of model fluids; for examples, see Refs. [15,16,17,18,19,20,21,22,23,24].…”

Section: Introductionmentioning

confidence: 99%

Computer simulations of liquid silica: Equation of state and liquid–liquid phase transition

Saika‐Voivod¹,

Sciortino²,

Poole³

2000

Phys. Rev. E

243

231

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We conduct extensive molecular dynamics computer simulations of two models for liquid silica [the model of Woodcock, Angell and Cheeseman, J. Phys. Chem. 65, 1565Chem. 65, (1976; and that of van Beest, Kramer and van Santen, Phys. Rev. Lett. 64, 1955, (1990)] to determine their thermodynamic properties at low temperature T across a wide density range. We find for both models a wide range of states in which isochores of the potential energy U are a linear function of T 3/5 , as recently proposed for simple liquids [Rosenfeld and P. Tarazona, Mol. Phys. 95, 141 (1998)]. We exploit this behavior to fit an accurate equation of state to our thermodynamic data. Extrapolation of this equation of state to low T predicts the occurrence of a liquid-liquid phase transition for both models. We conduct simulations in the region of the predicted phase transition, and confirm its existence by direct observation of phase separating droplets of atoms with distinct local density and coordination environments.

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Fluids with Several Phase Transitions

Cited by 335 publications

References 9 publications

The puzzling unsolved mysteries of liquid water: Some recent progress

The puzzling unsolved mysteries of liquid water: Some recent progress

Is there a second critical point in liquid water?

Computer simulations of liquid silica: Equation of state and liquid–liquid phase transition

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