Computational module for the calculation of thermochemical equilibria in nuclear fuel

    Research output: ThesisMaster's thesisTheses

    Abstract

    A computational module was developed in this work for the calculation of thermochemical equilib-ria bearing in mind the application of the module to chemical phenomena in nuclear fuel. Gibbs energy minimization principles set forth by Gunnar Eriksson in the SOLGASMIX program were applied for the calculation of thermochemical equilibria along with some improvements published in the literature. The underlying theory behind Gibbs energy minimization is presented, and the pro-gram applying this theory developed in this work is described in detail.

    To increase understanding of the chemical phenomena to be modelled with the program, chemis-try of nuclear fuel in operation was reviewed. In the review, the chemistry of the actinides uranium and plutonium along with the fission products formed in irradiated nuclear fuel were explored.

    Published thermochemical treatments of irradiated nuclear fuel and the applications of thermo-chemical modelling to nuclear fuel were reviewed to gain knowledge of state of research in this matter. Thermodynamic data for this system in the form of the Royal Military College of Canada Fuel Thermochemical Treatment was found to be publicly available, and this data was applied in this work.

    The program developed in this work was tested and in many cases was found to calculate results comparable to other, established programs. Even difficult cases possible in the application of irra-diated nuclear fuel were evaluated with the new program. Finally, a simulation of oxygen potential in a nuclear fuel rod under irradiation was performed with the new program with fission product amounts generated by the point depletion code ORIGEN and temperatures and pressures in the fuel rod calculated with the fuel performance code FRAPCON.
    Original languageEnglish
    QualificationMaster Degree
    Awarding Institution
    • Aalto University
    Supervisors/Advisors
    • Laasonen, Kari, Supervisor, External person
    • Ikonen, Timo, Advisor, External person
    Award date17 Sep 2014
    Place of PublicationEspoo
    Publisher
    Publication statusPublished - 2014
    MoE publication typeG2 Master's thesis, polytechnic Master's thesis

    Fingerprint

    nuclear fuels
    modules
    fission products
    rods
    optimization
    plutonium
    Canada
    uranium
    depletion
    chemistry
    thermodynamics
    irradiation
    energy
    oxygen

    Cite this

    @phdthesis{2a6daa0672344b03a3ba06c4b0731595,
    title = "Computational module for the calculation of thermochemical equilibria in nuclear fuel",
    abstract = "A computational module was developed in this work for the calculation of thermochemical equilib-ria bearing in mind the application of the module to chemical phenomena in nuclear fuel. Gibbs energy minimization principles set forth by Gunnar Eriksson in the SOLGASMIX program were applied for the calculation of thermochemical equilibria along with some improvements published in the literature. The underlying theory behind Gibbs energy minimization is presented, and the pro-gram applying this theory developed in this work is described in detail.To increase understanding of the chemical phenomena to be modelled with the program, chemis-try of nuclear fuel in operation was reviewed. In the review, the chemistry of the actinides uranium and plutonium along with the fission products formed in irradiated nuclear fuel were explored. Published thermochemical treatments of irradiated nuclear fuel and the applications of thermo-chemical modelling to nuclear fuel were reviewed to gain knowledge of state of research in this matter. Thermodynamic data for this system in the form of the Royal Military College of Canada Fuel Thermochemical Treatment was found to be publicly available, and this data was applied in this work.The program developed in this work was tested and in many cases was found to calculate results comparable to other, established programs. Even difficult cases possible in the application of irra-diated nuclear fuel were evaluated with the new program. Finally, a simulation of oxygen potential in a nuclear fuel rod under irradiation was performed with the new program with fission product amounts generated by the point depletion code ORIGEN and temperatures and pressures in the fuel rod calculated with the fuel performance code FRAPCON.",
    author = "Henri Loukusa",
    year = "2014",
    language = "English",
    publisher = "Aalto University",
    address = "Finland",
    school = "Aalto University",

    }

    Computational module for the calculation of thermochemical equilibria in nuclear fuel. / Loukusa, Henri.

    Espoo : Aalto University, 2014. 134 p.

    Research output: ThesisMaster's thesisTheses

    TY - THES

    T1 - Computational module for the calculation of thermochemical equilibria in nuclear fuel

    AU - Loukusa, Henri

    PY - 2014

    Y1 - 2014

    N2 - A computational module was developed in this work for the calculation of thermochemical equilib-ria bearing in mind the application of the module to chemical phenomena in nuclear fuel. Gibbs energy minimization principles set forth by Gunnar Eriksson in the SOLGASMIX program were applied for the calculation of thermochemical equilibria along with some improvements published in the literature. The underlying theory behind Gibbs energy minimization is presented, and the pro-gram applying this theory developed in this work is described in detail.To increase understanding of the chemical phenomena to be modelled with the program, chemis-try of nuclear fuel in operation was reviewed. In the review, the chemistry of the actinides uranium and plutonium along with the fission products formed in irradiated nuclear fuel were explored. Published thermochemical treatments of irradiated nuclear fuel and the applications of thermo-chemical modelling to nuclear fuel were reviewed to gain knowledge of state of research in this matter. Thermodynamic data for this system in the form of the Royal Military College of Canada Fuel Thermochemical Treatment was found to be publicly available, and this data was applied in this work.The program developed in this work was tested and in many cases was found to calculate results comparable to other, established programs. Even difficult cases possible in the application of irra-diated nuclear fuel were evaluated with the new program. Finally, a simulation of oxygen potential in a nuclear fuel rod under irradiation was performed with the new program with fission product amounts generated by the point depletion code ORIGEN and temperatures and pressures in the fuel rod calculated with the fuel performance code FRAPCON.

    AB - A computational module was developed in this work for the calculation of thermochemical equilib-ria bearing in mind the application of the module to chemical phenomena in nuclear fuel. Gibbs energy minimization principles set forth by Gunnar Eriksson in the SOLGASMIX program were applied for the calculation of thermochemical equilibria along with some improvements published in the literature. The underlying theory behind Gibbs energy minimization is presented, and the pro-gram applying this theory developed in this work is described in detail.To increase understanding of the chemical phenomena to be modelled with the program, chemis-try of nuclear fuel in operation was reviewed. In the review, the chemistry of the actinides uranium and plutonium along with the fission products formed in irradiated nuclear fuel were explored. Published thermochemical treatments of irradiated nuclear fuel and the applications of thermo-chemical modelling to nuclear fuel were reviewed to gain knowledge of state of research in this matter. Thermodynamic data for this system in the form of the Royal Military College of Canada Fuel Thermochemical Treatment was found to be publicly available, and this data was applied in this work.The program developed in this work was tested and in many cases was found to calculate results comparable to other, established programs. Even difficult cases possible in the application of irra-diated nuclear fuel were evaluated with the new program. Finally, a simulation of oxygen potential in a nuclear fuel rod under irradiation was performed with the new program with fission product amounts generated by the point depletion code ORIGEN and temperatures and pressures in the fuel rod calculated with the fuel performance code FRAPCON.

    M3 - Master's thesis

    PB - Aalto University

    CY - Espoo

    ER -