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Influence of temperature, pressure and internal degrees of freedom on hydrogen bonding and diffusion in liquid ethanol

Petravic, Janka; Delhommelle, Jerome


Influence of temperature and pressure on the static and dynamic properties of the hydrogen bond network and on diffusion is investigated for 10 state points of liquid ethanol. By gradually freezing the internal degrees of freedom, we also study the influence of the model for the internal motions on H-bonding and diffusion. Whereas an increase in temperature decreases the average length and lifetime of H-bonded chains, we found that compression at constant temperature has little effect upon...[Show more]

CollectionsANU Research Publications
Date published: 2003
Type: Journal article
Source: Chemical Physics
DOI: 10.1016/S0301-0104(02)00968-0


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