Thermodynamic Origin of Water's Thermal Conductivity Maximum
arxiv(2024)
摘要
The thermal conductivity of water features a maximum (TCM) as a function of
temperature at constant pressure. By examining why molecular force fields
succeed or fail to reproduce the maximum and interpreting our results using the
Bridgman equation, we show that water's TCM is connected with its
compressibility minimum. Using Stillinger-Weber potentials for tetrahedral
liquids, we interpolate between the behaviour of simple liquids and highly
tetrahedral materials such as carbon. Together with two vanishing limits at
low/high tetrahedrality, we identify three regimes for the TCM: when it
originates from either the compressibility minimum or density maximum, or both.
Thus, the TCM exists in a "Goldilocks Zone" of tetrahedral order. We provide a
thermodynamic explanation for the TCM of not only water, but tetrahedral
liquids in general.
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