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
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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