ArticleThe journal of physical chemistry letters2024
Thermal Transport and Thermal Polarization of Water in the Supercooled Regime.
Article in The journal of physical chemistry letters, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Thermodiffusion in aqueous alkali halide solutions from ambient to supercooled conditions: ion-specific, structural, and mass effects.The European physical journal. E, Soft matter · 2026Article
- Phospholipid Saturation Modulates Cholesterol Partitioning and Heat Transport in Lipid Bilayers under Thermal Gradients.Langmuir : the ACS journal of surfaces and colloids · 2026Article
- Unravelling the Origin of Water's Thermal Conductivity Maximum: Compressibility, Tetrahedrality and Nuclear Quantum Effects.Journal of the American Chemical Society · 2025Article
- Alkali Halide Aqueous Solutions Under Pressure: A Non-Equilibrium Molecular Dynamics Investigation of Thermal Transport and Thermodiffusion.Entropy (Basel, Switzerland) · 2025Article
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Authors and funding
2 authors.
Funding
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Abstract
The behavior of water in the deep supercooled regime has attracted significant interest, motivated by the hypothesis of the second critical point of water. Previous studies indicated the existence of a water anomaly, characterized by a minimum in the thermal conductivity of water. Here, we employ nonequilibrium molecular dynamics computer simulation and the TIP4P/2005 water force field to investigate the thermal conductivity of supercooled water targeting four different isobars, 1, 200, 700, and 1200 bar. We demonstrate using NEMD simulations the existence of minima in thermal conductivity associated with the maximum isothermal compressibility and the minimum speed of sound in water, hence establishing a firm connection with the second critical point of liquid water. Moreover, we demonstrate that thermal gradients polarize supercooled water with a thermal polarization coefficient of several mV/K. We explain the thermal polarization effect using a theoretical formulation introduced recently that connects the thermal polarization effect to the isobaric thermal expansion coefficient.
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Registered trials
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