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Title: Phase transition and equation of state of dense hydrous silica up to 63 GPa: DENSE HYDROUS PURE SILICA

Authors:
 [1];  [2]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [3]; ORCiD logo [1]
  1. School of Earth and Space Exploration, Arizona State University, Tempe Arizona USA
  2. Department of Chemistry and Biochemistry, Arizona State University, Tempe Arizona USA
  3. Center for Advanced Radiation Sources, University of Chicago, Chicago Illinois USA
  4. Center for Advanced Radiation Sources, University of Chicago, Chicago Illinois USA, Now at Institute of Geology and Mineralogy, University of Cologne, Cologne Germany
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1389093
Grant/Contract Number:
FG02-94ER14466; AC02-06CH11357; NSFEAR-11-57758; NSFEAR-1128799; DOEDE-FG02-94ER14466
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of Geophysical Research. Solid Earth
Additional Journal Information:
Journal Volume: 122; Journal Issue: 9; Related Information: CHORUS Timestamp: 2018-02-12 20:11:40; Journal ID: ISSN 2169-9313
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
United States
Language:
English

Citation Formats

Nisr, C., Leinenweber, K., Prakapenka, V., Prescher, C., Tkachev, S., and Shim, S. -H. Dan. Phase transition and equation of state of dense hydrous silica up to 63 GPa: DENSE HYDROUS PURE SILICA. United States: N. p., 2017. Web. doi:10.1002/2017JB014055.
Nisr, C., Leinenweber, K., Prakapenka, V., Prescher, C., Tkachev, S., & Shim, S. -H. Dan. Phase transition and equation of state of dense hydrous silica up to 63 GPa: DENSE HYDROUS PURE SILICA. United States. doi:10.1002/2017JB014055.
Nisr, C., Leinenweber, K., Prakapenka, V., Prescher, C., Tkachev, S., and Shim, S. -H. Dan. 2017. "Phase transition and equation of state of dense hydrous silica up to 63 GPa: DENSE HYDROUS PURE SILICA". United States. doi:10.1002/2017JB014055.
@article{osti_1389093,
title = {Phase transition and equation of state of dense hydrous silica up to 63 GPa: DENSE HYDROUS PURE SILICA},
author = {Nisr, C. and Leinenweber, K. and Prakapenka, V. and Prescher, C. and Tkachev, S. and Shim, S. -H. Dan},
abstractNote = {},
doi = {10.1002/2017JB014055},
journal = {Journal of Geophysical Research. Solid Earth},
number = 9,
volume = 122,
place = {United States},
year = 2017,
month = 9
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on September 9, 2018
Publisher's Accepted Manuscript

Citation Metrics:
Cited by: 1work
Citation information provided by
Web of Science

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  • The definition of the direct correlation functions (DCF) used by Tanaka, Yan, and Ichimaru (Phys. Rev. A 41, 5616 (1990)) is a semiclassical one, even though the functional derivative is performed taking account of the quantum effect. As a consequence, the Ornstein-Zernike relations, the electron-screened ion-ion interaction, the electron-screened ion-ion DCF, and the compressibility cannot be derived in correct forms for an electron-proton mixture, where the electrons behave as a quantum fluid.
  • The phase equilibria of the n-alkanes and the 1-alkanols have been calculated with the Lennard-Jones-SAFT equation of state of Mueller and Gubbins. This equation includes contributions from a dipole-dipole term, a modified association term, a chain term, and a Lennard-Jones term to account for monomer dispersion and overlap interactions. The influence of electrostatic forces due to the dipole moment has been investigated, and a simple treatment of the polarizability has been tested. It is shown by comparison with some sample calculations based on the renormalized perturbation theory that this approach is reasonable. The calculated phase equilibria are in good agreementmore » with experimental data. The deviation between calculated and experimental data is significantly lower than for the original SAFT equation of state and a recently published chemical theory.« less
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