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High-density liquid (HDL) adsorption at the supercooled water/vapor interface and its possible relation to the second
Alexander Gorfer1, Christoph Dellago1, Marcello Sega2
1Faculty of Physics, University of Vienna, Boltzmanngasse 5, Wien A-1090, Austria.
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 a high accuracy at 283 ± 5 K, close to the temperature of maximum density. 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 high-density liquid (HDL) water adsorption in the proximity of the liquid/vapor interface.
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