High-density liquid (HDL) adsorption at the supercooled water/vapor interface and its possible relation to the second surface tension inflection point
- Author(s)
- Alexander Gorfer, Christoph Dellago, Marcello Sega
- 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.
- Organisation(s)
- Computational and Soft Matter Physics, Research Platform Erwin Schrödinger International Institute for Mathematics and Physics
- External organisation(s)
- University College London
- Journal
- Journal of Chemical Physics
- Volume
- 158
- No. of pages
- 7
- ISSN
- 0021-9606
- DOI
- https://doi.org/10.1063/5.0132985
- Publication date
- 02-2023
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103015 Condensed matter, 103043 Computational physics, 103006 Chemical physics
- Keywords
- ASJC Scopus subject areas
- Physics and Astronomy(all), Physical and Theoretical Chemistry
- Portal url
- https://ucris.univie.ac.at/portal/en/publications/highdensity-liquid-hdl-adsorption-at-the-supercooled-watervapor-interface-and-its-possible-relation-to-the-second-surface-tension-inflection-point(10b3409a-f9a4-48e7-8b87-49a0201748b3).html