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High-density liquid (HDL) adsorption at the supercooled water/vapor interface and its possible relation to the second surface tension inflection point

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arxiv 2211.08865 v1 pith:4AQ6JLVD submitted 2022-11-16 cond-mat.soft

classification cond-mat.soft
keywords interfaceliquidvaporwateradsorptionapophysisdensityinflection
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abstract

We investigate the properties of water along the liquid/vapor coexistence line in the supercooled regime down to the no-man's land. Extensive molecular dynamics simulations of the TIP4P/2005 liquid/vapor interface in the range 198 -- 348 K allow us to locate the second surface tension inflection point with high accuracy at 283$\pm$5 K, close to the temperature of maximum density (TMD). This temperature also coincides with the appearance of a density anomaly at the interface known as the apophysis. We relate the emergence of the apophysis to the observation of HDL water adsorption in the proximity of the liquid/vapor interface.

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