Thermochemical modelling of the oxygen potential of uranium oxide fuel pellets under irradiation

    Research output: Chapter in Book/Report/Conference proceedingConference article in proceedingsScientificpeer-review

    Abstract

    The elemental and chemical composition of nuclear fuel pellets are key factors influencing the material properties of the pellets, along with physical properties and irradiation history. These are connected through the chemical behavior of the various fission products present in irradiated fuel. In nuclear fuel performance codes, the chemical composition of nuclear fuel is almost always taken into account only through parameterized correlations of various material properties, most of which are affected by the chemical composition. The oxidation state of the fuel is one of the most important chemical properties influencing the material properties of the fuel, and it can only be determined with the knowledge of the chemical composition. The oxidation state of a complex mixture of substances such as nuclear fuel can be represented by the oxygen potential. The oxygen potential is a measure of the tendency of a chemical substance to oxidize adjacent materials, and it is related to the oxygen partial pressure over the substance at chemical equilibrium. The oxygen potential of fuel can be calculated with the principles of Gibbs energy minimization, provided the elemental composition, temperature, pressure and suitable thermochemical data are available. The computing power necessary to apply Gibbs energy minimization to such a chemically complex system as nuclear fuel has been unavailable until recently. In this work, the elemental composition of the fuel in a PWR rod is obtained from a burnup calculation and the temperature and pressure on the fuel surface calculated with a fuel performance code. These are combined with a Gibbs energy minimization routine developed at VTT and thermochemical data from the open literature to calculate the oxygen potential of the fuel surface over the lifetime of the fuel rod.
    Original languageEnglish
    Title of host publicationTopFuel 2015 Conference Proceedings, Poster
    PublisherEuropean Nuclear Society
    Pages10-19
    ISBN (Print)978-92-95064-23-2
    Publication statusPublished - 2015
    MoE publication typeA4 Article in a conference publication
    EventTopFuel 2015: Reactor Fuel Performance - Zürich, Switzerland
    Duration: 13 Sep 201517 Sep 2015
    https://www.euronuclear.org/events/topfuel/topfuel2015/

    Conference

    ConferenceTopFuel 2015
    Abbreviated titleTopFuel
    CountrySwitzerland
    CityZürich
    Period13/09/1517/09/15
    Internet address

    Fingerprint

    Uranium
    Irradiation
    Oxides
    Oxygen
    Nuclear fuels
    Gibbs free energy
    Chemical analysis
    Materials properties
    Nuclear fuel pellets
    Oxidation
    Fission products
    Partial pressure
    Chemical properties
    Large scale systems
    Physical properties
    Temperature

    Keywords

    • thermochemical modeling
    • nuclear fuel

    Cite this

    Loukusa, H., Ikonen, T., Räty, A., & Tulkki, V. (2015). Thermochemical modelling of the oxygen potential of uranium oxide fuel pellets under irradiation. In TopFuel 2015 Conference Proceedings, Poster (pp. 10-19). European Nuclear Society.
    Loukusa, Henri ; Ikonen, Timo ; Räty, Antti ; Tulkki, Ville. / Thermochemical modelling of the oxygen potential of uranium oxide fuel pellets under irradiation. TopFuel 2015 Conference Proceedings, Poster. European Nuclear Society, 2015. pp. 10-19
    @inproceedings{6b39c99c1a7140f8b961d147e3fc8e7a,
    title = "Thermochemical modelling of the oxygen potential of uranium oxide fuel pellets under irradiation",
    abstract = "The elemental and chemical composition of nuclear fuel pellets are key factors influencing the material properties of the pellets, along with physical properties and irradiation history. These are connected through the chemical behavior of the various fission products present in irradiated fuel. In nuclear fuel performance codes, the chemical composition of nuclear fuel is almost always taken into account only through parameterized correlations of various material properties, most of which are affected by the chemical composition. The oxidation state of the fuel is one of the most important chemical properties influencing the material properties of the fuel, and it can only be determined with the knowledge of the chemical composition. The oxidation state of a complex mixture of substances such as nuclear fuel can be represented by the oxygen potential. The oxygen potential is a measure of the tendency of a chemical substance to oxidize adjacent materials, and it is related to the oxygen partial pressure over the substance at chemical equilibrium. The oxygen potential of fuel can be calculated with the principles of Gibbs energy minimization, provided the elemental composition, temperature, pressure and suitable thermochemical data are available. The computing power necessary to apply Gibbs energy minimization to such a chemically complex system as nuclear fuel has been unavailable until recently. In this work, the elemental composition of the fuel in a PWR rod is obtained from a burnup calculation and the temperature and pressure on the fuel surface calculated with a fuel performance code. These are combined with a Gibbs energy minimization routine developed at VTT and thermochemical data from the open literature to calculate the oxygen potential of the fuel surface over the lifetime of the fuel rod.",
    keywords = "thermochemical modeling, nuclear fuel",
    author = "Henri Loukusa and Timo Ikonen and Antti R{\"a}ty and Ville Tulkki",
    note = "LIS: Poster presentation, Full paper reviewed + published",
    year = "2015",
    language = "English",
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    pages = "10--19",
    booktitle = "TopFuel 2015 Conference Proceedings, Poster",
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    Loukusa, H, Ikonen, T, Räty, A & Tulkki, V 2015, Thermochemical modelling of the oxygen potential of uranium oxide fuel pellets under irradiation. in TopFuel 2015 Conference Proceedings, Poster. European Nuclear Society, pp. 10-19, TopFuel 2015, Zürich, Switzerland, 13/09/15.

    Thermochemical modelling of the oxygen potential of uranium oxide fuel pellets under irradiation. / Loukusa, Henri; Ikonen, Timo; Räty, Antti; Tulkki, Ville.

    TopFuel 2015 Conference Proceedings, Poster. European Nuclear Society, 2015. p. 10-19.

    Research output: Chapter in Book/Report/Conference proceedingConference article in proceedingsScientificpeer-review

    TY - GEN

    T1 - Thermochemical modelling of the oxygen potential of uranium oxide fuel pellets under irradiation

    AU - Loukusa, Henri

    AU - Ikonen, Timo

    AU - Räty, Antti

    AU - Tulkki, Ville

    N1 - LIS: Poster presentation, Full paper reviewed + published

    PY - 2015

    Y1 - 2015

    N2 - The elemental and chemical composition of nuclear fuel pellets are key factors influencing the material properties of the pellets, along with physical properties and irradiation history. These are connected through the chemical behavior of the various fission products present in irradiated fuel. In nuclear fuel performance codes, the chemical composition of nuclear fuel is almost always taken into account only through parameterized correlations of various material properties, most of which are affected by the chemical composition. The oxidation state of the fuel is one of the most important chemical properties influencing the material properties of the fuel, and it can only be determined with the knowledge of the chemical composition. The oxidation state of a complex mixture of substances such as nuclear fuel can be represented by the oxygen potential. The oxygen potential is a measure of the tendency of a chemical substance to oxidize adjacent materials, and it is related to the oxygen partial pressure over the substance at chemical equilibrium. The oxygen potential of fuel can be calculated with the principles of Gibbs energy minimization, provided the elemental composition, temperature, pressure and suitable thermochemical data are available. The computing power necessary to apply Gibbs energy minimization to such a chemically complex system as nuclear fuel has been unavailable until recently. In this work, the elemental composition of the fuel in a PWR rod is obtained from a burnup calculation and the temperature and pressure on the fuel surface calculated with a fuel performance code. These are combined with a Gibbs energy minimization routine developed at VTT and thermochemical data from the open literature to calculate the oxygen potential of the fuel surface over the lifetime of the fuel rod.

    AB - The elemental and chemical composition of nuclear fuel pellets are key factors influencing the material properties of the pellets, along with physical properties and irradiation history. These are connected through the chemical behavior of the various fission products present in irradiated fuel. In nuclear fuel performance codes, the chemical composition of nuclear fuel is almost always taken into account only through parameterized correlations of various material properties, most of which are affected by the chemical composition. The oxidation state of the fuel is one of the most important chemical properties influencing the material properties of the fuel, and it can only be determined with the knowledge of the chemical composition. The oxidation state of a complex mixture of substances such as nuclear fuel can be represented by the oxygen potential. The oxygen potential is a measure of the tendency of a chemical substance to oxidize adjacent materials, and it is related to the oxygen partial pressure over the substance at chemical equilibrium. The oxygen potential of fuel can be calculated with the principles of Gibbs energy minimization, provided the elemental composition, temperature, pressure and suitable thermochemical data are available. The computing power necessary to apply Gibbs energy minimization to such a chemically complex system as nuclear fuel has been unavailable until recently. In this work, the elemental composition of the fuel in a PWR rod is obtained from a burnup calculation and the temperature and pressure on the fuel surface calculated with a fuel performance code. These are combined with a Gibbs energy minimization routine developed at VTT and thermochemical data from the open literature to calculate the oxygen potential of the fuel surface over the lifetime of the fuel rod.

    KW - thermochemical modeling

    KW - nuclear fuel

    M3 - Conference article in proceedings

    SN - 978-92-95064-23-2

    SP - 10

    EP - 19

    BT - TopFuel 2015 Conference Proceedings, Poster

    PB - European Nuclear Society

    ER -

    Loukusa H, Ikonen T, Räty A, Tulkki V. Thermochemical modelling of the oxygen potential of uranium oxide fuel pellets under irradiation. In TopFuel 2015 Conference Proceedings, Poster. European Nuclear Society. 2015. p. 10-19