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Effect of the local hydrogen bonding network on the reorientational and translational dynamics in supercritical water

Autor
Skarmoutsos, I.; Guardia, E.
Tipus d'activitat
Article en revista
Revista
Journal of chemical physics
Data de publicació
2010-02
Volum
132
Número
7
Pàgina inicial
1
Pàgina final
10
DOI
https://doi.org/10.1063/1.3305326 Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/7155 Obrir en finestra nova
URL
http://jcp.aip.org/jcpsa6/v132/i7/p074502_s1 Obrir en finestra nova
Resum
Molecular dynamics simulations have been performed in a wide range of densities along a near critical isotherm of supercritical water in order to reveal the interconnection between the local hydrogen bonding (HB) network and several related dynamic properties. The results obtained have revealed a significant slowing down of reorientational dynamics of the water molecules as the value of the number of hydrogen bond per molecule increases and this is reflected on the increase in the reorientationa...
Citació
Skarmoutsos, I.; Guardia, E. Effect of the local hydrogen bonding network on the reorientational and translational dynamics in supercritical water. "Journal of chemical physics", Febrer 2010, vol. 132, núm. 7, p. 1-10.
Grup de recerca
CEBIM - Centre de Biotecnologia Molecular
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

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