论文标题

高密度液体(HDL)在超冷水/蒸气界面上的吸附及其与第二表面张力拐点的可能关系

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

论文作者

Gorfer, Alexander, Dellago, Christoph, Sega, Marcello

论文摘要

我们调查了沿液体/蒸气共存线的水的性质,直至无人区的土地。 TIP4P/2005液体/蒸气界面的大量分子动力学模拟198-348 K的液体/蒸气界面使我们能够以283 $ \ pm $ 5 k的高度定位第二表面张力拐点,接近最大密度(TMD)的温度。该温度还与在称为毛神病的界面处的密度异常出现相吻合。我们将掌phy分析的出现与液体/蒸气界面接近HDL水吸附的观察。

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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