Molecular dynamics simulations of supercritical water reveal distinctly different distance-dependent modulations of dipolar response and correlations in particle motion compared to ambient conditions. The strongly perturbed H-bond network of water at supercritical conditions allows for considerable translationaland rotational freedom of individual molecules. These changes give rise to substantially different infrared spectra and vibrational density of states at THz frequencies for densities above and below the Widom line that separates percolating liquidlike and clustered gaslike supercritical water.
Authors
- dr hab. inż. Maciej Śmiechowski link open in new tab ,
- Christoph Schran,
- Harald Forbert,
- Dominik Marx
Additional information
- DOI
- Digital Object Identifier link open in new tab 10.1103/physrevlett.116.027801
- Category
- Publikacja w czasopiśmie
- Type
- artykuł w czasopiśmie wyróżnionym w JCR
- Language
- angielski
- Publication year
- 2016
