Minimum in the thermal conductivity of supercooled water: a computer simulation study

Abstract

We report the results of a computer simulation study of the thermodynamic properties and the thermal conductivity of supercooled water as a function of pressure and temperature using the TIP4P-2005 water model. The thermodynamic properties can be represented by a two-structure equation of state consistent with the presence of a liquid-liquid critical point in the supercooled region. Our simulations confirm the presence of a minimum in the thermal conductivity, not only at atmospheric pressure, as previously found for the TIP5P water model, but also at elevated pressures. This anomalous behavior of the thermal conductivity of supercooled water appears to be related to the maximum of the isothermal compressibility or the minimum of the speed of sound. However, the magnitudes of the simulated thermal conductivities are sensitive to the water model adopted and appear to be significantly larger than the experimental thermal conductivities of real water at low temperatures.

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References in corpus (6)

• The Putative Liquid-Liquid Transition is a Liquid-Solid Transition in Atomistic Models of Water
• Entropy-driven liquid-liquid separation in supercooled water
• The Putative Liquid-Liquid Transition is a Liquid-Solid Transition in Atomistic Models of Water, Part II
• Nature of the anomalies in the supercooled liquid state of the mW model of water
• Two-state thermodynamics of the ST2 model for supercooled water
• Thermal Conductivity of Supercooled Water

Cited by in corpus (6)

• Two-State Thermodynamics and the Possibility of a Liquid-Liquid Phase Transition in Supercooled TIP4P/2005 Water
• Homogeneous ice nucleation evaluated for several water models
• Water: one molecule, two surfaces, one mistake
• A comprehensive scenario of the thermodynamic anomalies of water using the TIP4P/2005 model
• Density and bond-orientational relaxations in supercooled water
• High-density liquid (HDL) adsorption at the supercooled water/vapor interface and its possible relation to the second surface tension inflection point