Random encounters dominate water-water interactions at supercritical conditions
Supercritical water is widely present in Earth's crust and has a great potential as an environmentally friendly solvent. Water also serves as the prototype for directional hydrogen bonding at ambient conditions. However, the question of whether supercritical water is still hydrogen-bonded or how water molecules interact en route to the supercritical regime is a matter of controversial discussions. We present terahertz (THz) spectra, which directly probe the intermolecular interactions of water under these extreme conditions. While we spectroscopically detect the liquid-gas phase transition just below the critical point, THz spectra of the high-temperature gas phase are indistinguishable from those of supercritical water at the same density. The accompanying ab initio simulations provide the molecular underpinnings: The water-water contacts at supercritical conditions are essentially orientationally random.
Authors
- Katja Mauelshagen
- Gerhard Schwaab (ORCID: https://orcid.org/0000-0003-2136-907X)
- Philipp Schienbein (ORCID: https://orcid.org/0000-0003-2417-1472)
- Inga Kolling
- Dominik Marx (ORCID: https://orcid.org/0009-0005-0865-1419)
Institutions
- Imperial College London (GB)
- Ruhr University Bochum (DE)
Publication Details
- Journal
- Science Advances
- Published
- 2025-03-14
- DOI
- https://doi.org/10.1126/sciadv.adp8614
- Citations
- 3
- Primary Topic
- Spectroscopy and Quantum Chemical Studies
- Type
- article
- Field-Weighted Citation Impact
- 3.74