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Correlated Particle Motion and THz Spectral Response of Supercritical Water

Abstract

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.

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Category:
Articles
Type:
artykuł w czasopiśmie wyróżnionym w JCR
Published in:
PHYSICAL REVIEW LETTERS no. 116, edition 2, pages 1 - 6,
ISSN: 0031-9007
Language:
English
Publication year:
2016
Bibliographic description:
Śmiechowski M., Schran C., Forbert H., Marx D.: Correlated Particle Motion and THz Spectral Response of Supercritical Water// PHYSICAL REVIEW LETTERS. -Vol. 116, iss. 2 (2016), s.1-6
DOI:
Digital Object Identifier (open in new tab) 10.1103/physrevlett.116.027801
Verified by:
Gdańsk University of Technology

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