Equation of state, refractive index and polarizability of compressed water to 7 GPa and 673 K

Carmen Sanchez-Valle, Davide Mantegazzi, Jay D Bass, Eric Reusser

Research output: Contribution to journalArticle

Abstract

The equation of state (EoS), refractive index n, and polarizability α of water have been determined up to 673 K and 7 GPa from acoustic velocity measurements conducted in a resistively heated diamond anvil cell using Brillouin scattering spectroscopy. Measured acoustic velocities compare favorably with previous experimental studies but they are lower than velocities calculated from the extrapolation of the IAPWS95 equation of state above 3 GPa at 673 K and deviations increase up to 6% at 7 GPa. Densities calculated from the velocity data were used to propose an empirical EoS suitable in the 0.6-7 GPa and 293-673 K range with a total estimated uncertainty of 0.5% or less. The density model and thermodynamic properties derived from the experimental EoS have been compared to several EoS proposed in the literature. The IAPWS95 EoS provides good agreement, although underestimates density by up to 1.2% at 7 GPa and 673 K and the thermodynamic properties deviate greatly (10%-20%) outside the estimated uncertainties above 4 GPa. The refractive index n of liquid water increases linearly with density and do not depend intrinsically on temperature. The polarizability decreases with pressure by less than 4% within the investigated P-T range, suggesting strong intermolecular interactions in H 2O that are consistent with the prevalence of the hydrogen bond network in the fluid. The results will allow the refinement of interaction potentials that consider polarization effects for a better understanding of solvent-solvent and ion-solvent interactions in aqueous fluids at high pressure and temperature conditions.

Original languageEnglish (US)
Article number054505
JournalJournal of Chemical Physics
Volume138
Issue number5
DOIs
StatePublished - Feb 7 2013

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Equations of state
Refractive index
equations of state
refractivity
Water
water
acoustic velocity
Acoustic wave velocity measurement
Thermodynamic properties
thermodynamic properties
Brillouin scattering
Diamond
Fluids
fluids
Acoustic wave velocity
interactions
anvils
velocity measurement
Extrapolation
low speed

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Equation of state, refractive index and polarizability of compressed water to 7 GPa and 673 K. / Sanchez-Valle, Carmen; Mantegazzi, Davide; Bass, Jay D; Reusser, Eric.

In: Journal of Chemical Physics, Vol. 138, No. 5, 054505, 07.02.2013.

Research output: Contribution to journalArticle

Sanchez-Valle, Carmen ; Mantegazzi, Davide ; Bass, Jay D ; Reusser, Eric. / Equation of state, refractive index and polarizability of compressed water to 7 GPa and 673 K. In: Journal of Chemical Physics. 2013 ; Vol. 138, No. 5.
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