DOI: 10.1063/1.1523911. Stability of ice XII relative to ice V and ice VI at high pressures

Stability of ice XII relative to ice V and ice VI at high pressures

10.1063/1.1523911

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The Gibbs energy difference between ice XII and ice V and between ice XII and ice VI at high pressures has been estimated in their fully orientationally disordered states from the available data. The Gibbs energy of ice XII is 183 J/mol higher than that of ice V at 0.5 GPa, and therefore ice XII is metastable with respect to ice V. The Gibbs energy of ice XII is 180–475 J/mol higher than that of ice VI at 1.1 GPa and 100 K. This is inconsistent with the recent deduction [T. Loerting, I. Kohl, C. Salzmann, E. Mayer, and A. Hallbrucker, J. Chem. Phys. 116, 3171 (2002)] that ice VI in the range 0.7–1.5 GPa and 158–212 K is metastable with respect to XII, and also with the speculation that proton (or orientationally)-ordered ice XII could have formed in Johari and Whalley’s [J. Chem. Phys. 70, 2094 (1979)] search for orientationally ordered ice VI. An examination of the available dielectric data and Raman spectral features show no indication of ice VI to ice XII transformation at high pressures. Therefore, ice VI, not ice XII, is the stable phase at ≈1 GPa and in the 158–212 K range. Ice polymorphs coexist in a thermoelastic equilibrium when the strain energy increase at the two-phase interface of the crystals growing in the parent phase becomes equal to the Gibbs energy decrease resulting from the growth. Hence a multiplicity of phases may coexist at high pressures.

Bibliography

Johari, G. P. (2003). Stability of ice XII relative to ice V and ice VI at high pressures. The Journal of Chemical Physics, 118(1), 242â248.

Authors 1

G. P. Johari (first)

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Dates

Type	When
Created	22 years, 8 months ago (Dec. 19, 2002, 4:13 a.m.)
Deposited	1 year, 6 months ago (Feb. 5, 2024, 1:32 p.m.)
Indexed	1 year, 6 months ago (Feb. 6, 2024, 7:12 a.m.)
Issued	22 years, 7 months ago (Jan. 1, 2003)
Published	22 years, 7 months ago (Jan. 1, 2003)
Published Print	22 years, 7 months ago (Jan. 1, 2003)

Funders 0

None

BibTeX

@article{Johari_2003, title={Stability of ice XII relative to ice V and ice VI at high pressures}, volume={118}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1523911}, DOI={10.1063/1.1523911}, number={1}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Johari, G. P.}, year={2003}, month=jan, pages={242–248} }

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  "abstract": "<jats:p>The Gibbs energy difference between ice XII and ice V and between ice XII and ice VI at high pressures has been estimated in their fully orientationally disordered states from the available data. The Gibbs energy of ice XII is 183 J/mol higher than that of ice V at 0.5 GPa, and therefore ice XII is metastable with respect to ice V. The Gibbs energy of ice XII is 180\u2013475 J/mol higher than that of ice VI at 1.1 GPa and 100 K. This is inconsistent with the recent deduction [T. Loerting, I. Kohl, C. Salzmann, E. Mayer, and A. Hallbrucker, J. Chem. Phys. 116, 3171 (2002)] that ice VI in the range 0.7\u20131.5 GPa and 158\u2013212 K is metastable with respect to XII, and also with the speculation that proton (or orientationally)-ordered ice XII could have formed in Johari and Whalley\u2019s [J. Chem. Phys. 70, 2094 (1979)] search for orientationally ordered ice VI. An examination of the available dielectric data and Raman spectral features show no indication of ice VI to ice XII transformation at high pressures. Therefore, ice VI, not ice XII, is the stable phase at \u22481\u200aGPa and in the 158\u2013212 K range. Ice polymorphs coexist in a thermoelastic equilibrium when the strain energy increase at the two-phase interface of the crystals growing in the parent phase becomes equal to the Gibbs energy decrease resulting from the growth. Hence a multiplicity of phases may coexist at high pressures.</jats:p>",
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