Thermodynamic properties of the Gd 2 O 3 -Y 2 O 3 -HfO 2 system studied by high temperature Knudsen effusion mass spectrometry and optimized using the Barker lattice theory

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Abstract

The vaporization processes and thermodynamic properties of twenty samples in the Gd 2 O 3 -Y 2 O 3 -HfO 2 system in a wide concentration range were studied by high-temperature Knudsen effusion mass spectrometry. At the temperature 2500 K the main vapor species were GdO, YO, and O. From the measured values of their partial pressures activities of the Gd 2 O 3 and Y 2 O 3 as functions of concentration were determined. The HfO 2 activity was calculated by the Gibbs-Duhem integration. The resulting excess Gibbs energy function exhibited negative deviations from ideal behavior. For the optimization of the obtained thermodynamic functions of the ternary Gd 2 O 3 -Y 2 O 3 -HfO 2 system the generalized Barker-Guggenheim theory of associated solutions was applied. In an alternative computing procedure the same model was used, but the optimization was based on the available literature data for the corresponding binary Gd 2 O 3 -Y 2 O 3 , Gd 2 O 3 -HfO 2 , and Y 2 O 3 -HfO 2 systems. Thus, the Barker lattice model may be used for estimation of the thermodynamic functions of a ternary system on the basis of the data for the corresponding binary sub-systems.

Original languageEnglish
Pages (from-to)1207-1212
Number of pages6
JournalJournal of Alloys and Compounds
Volume791
DOIs
Publication statusPublished - 30 Jun 2019

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Lattice theory
Mass spectrometry
Thermodynamic properties
Thermodynamics
Gibbs free energy
Ternary systems
Vaporization
Partial pressure
Temperature
Vapors

Scopus subject areas

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

Cite this

@article{9486ea69d26347b4b18a48f446f339f7,
title = "Thermodynamic properties of the Gd 2 O 3 -Y 2 O 3 -HfO 2 system studied by high temperature Knudsen effusion mass spectrometry and optimized using the Barker lattice theory",
abstract = "The vaporization processes and thermodynamic properties of twenty samples in the Gd 2 O 3 -Y 2 O 3 -HfO 2 system in a wide concentration range were studied by high-temperature Knudsen effusion mass spectrometry. At the temperature 2500 K the main vapor species were GdO, YO, and O. From the measured values of their partial pressures activities of the Gd 2 O 3 and Y 2 O 3 as functions of concentration were determined. The HfO 2 activity was calculated by the Gibbs-Duhem integration. The resulting excess Gibbs energy function exhibited negative deviations from ideal behavior. For the optimization of the obtained thermodynamic functions of the ternary Gd 2 O 3 -Y 2 O 3 -HfO 2 system the generalized Barker-Guggenheim theory of associated solutions was applied. In an alternative computing procedure the same model was used, but the optimization was based on the available literature data for the corresponding binary Gd 2 O 3 -Y 2 O 3 , Gd 2 O 3 -HfO 2 , and Y 2 O 3 -HfO 2 systems. Thus, the Barker lattice model may be used for estimation of the thermodynamic functions of a ternary system on the basis of the data for the corresponding binary sub-systems.",
keywords = "Gadolinia, Hafnia, Knudsen effusion mass spectrometry, Lattice model, Rare earth alloys and compounds, Thermodynamic modeling, Yttria, OXIDE SYSTEMS, VAPORIZATION",
author = "Shilov, {A. L.} and Stolyarova, {V. L.} and Lopatin, {S. I.} and Vorozhtcov, {V. A.}",
year = "2019",
month = "6",
day = "30",
doi = "10.1016/j.jallcom.2019.03.182",
language = "English",
volume = "791",
pages = "1207--1212",
journal = "Journal of Alloys and Compounds",
issn = "0925-8388",
publisher = "Elsevier",

}

TY - JOUR

T1 - Thermodynamic properties of the Gd 2 O 3 -Y 2 O 3 -HfO 2 system studied by high temperature Knudsen effusion mass spectrometry and optimized using the Barker lattice theory

AU - Shilov, A. L.

AU - Stolyarova, V. L.

AU - Lopatin, S. I.

AU - Vorozhtcov, V. A.

PY - 2019/6/30

Y1 - 2019/6/30

N2 - The vaporization processes and thermodynamic properties of twenty samples in the Gd 2 O 3 -Y 2 O 3 -HfO 2 system in a wide concentration range were studied by high-temperature Knudsen effusion mass spectrometry. At the temperature 2500 K the main vapor species were GdO, YO, and O. From the measured values of their partial pressures activities of the Gd 2 O 3 and Y 2 O 3 as functions of concentration were determined. The HfO 2 activity was calculated by the Gibbs-Duhem integration. The resulting excess Gibbs energy function exhibited negative deviations from ideal behavior. For the optimization of the obtained thermodynamic functions of the ternary Gd 2 O 3 -Y 2 O 3 -HfO 2 system the generalized Barker-Guggenheim theory of associated solutions was applied. In an alternative computing procedure the same model was used, but the optimization was based on the available literature data for the corresponding binary Gd 2 O 3 -Y 2 O 3 , Gd 2 O 3 -HfO 2 , and Y 2 O 3 -HfO 2 systems. Thus, the Barker lattice model may be used for estimation of the thermodynamic functions of a ternary system on the basis of the data for the corresponding binary sub-systems.

AB - The vaporization processes and thermodynamic properties of twenty samples in the Gd 2 O 3 -Y 2 O 3 -HfO 2 system in a wide concentration range were studied by high-temperature Knudsen effusion mass spectrometry. At the temperature 2500 K the main vapor species were GdO, YO, and O. From the measured values of their partial pressures activities of the Gd 2 O 3 and Y 2 O 3 as functions of concentration were determined. The HfO 2 activity was calculated by the Gibbs-Duhem integration. The resulting excess Gibbs energy function exhibited negative deviations from ideal behavior. For the optimization of the obtained thermodynamic functions of the ternary Gd 2 O 3 -Y 2 O 3 -HfO 2 system the generalized Barker-Guggenheim theory of associated solutions was applied. In an alternative computing procedure the same model was used, but the optimization was based on the available literature data for the corresponding binary Gd 2 O 3 -Y 2 O 3 , Gd 2 O 3 -HfO 2 , and Y 2 O 3 -HfO 2 systems. Thus, the Barker lattice model may be used for estimation of the thermodynamic functions of a ternary system on the basis of the data for the corresponding binary sub-systems.

KW - Gadolinia

KW - Hafnia

KW - Knudsen effusion mass spectrometry

KW - Lattice model

KW - Rare earth alloys and compounds

KW - Thermodynamic modeling

KW - Yttria

KW - OXIDE SYSTEMS

KW - VAPORIZATION

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U2 - 10.1016/j.jallcom.2019.03.182

DO - 10.1016/j.jallcom.2019.03.182

M3 - Article

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VL - 791

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JO - Journal of Alloys and Compounds

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SN - 0925-8388

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