Thermodynamics and kinetics of phase transformation in intercalation battery electrodes - Phenomenological modeling

Wei Lai, Francesco Ciucci

    Research output: Research - peer-reviewArticle

    • 24 Citations

    Abstract

    Thermodynamics and kinetics of phase transformation in intercalation battery electrodes are investigated by phenomenological models which include a mean-field lattice-gas thermodynamic model and a generalized Poisson-Nernst-Planck equation set based on linear irreversible thermodynamics. The application of modeling to a porous intercalation electrode leads to a hierarchical equivalent circuit with elements of explicit physical meanings. The equivalent circuit corresponding to the intercalation particle of planar, cylindrical and spherical symmetry is reduced to a diffusion equation with concentration dependent diffusivity. The numerical analysis of the diffusion equation suggests the front propagation behavior during phase transformation. The present treatment is also compared with the conventional moving boundary and phase field approaches.

    LanguageEnglish (US)
    Pages531-542
    Number of pages12
    JournalElectrochimica Acta
    Volume56
    Issue number1
    DOIs
    StatePublished - 2010

    Profile

    Intercalation
    Phase transitions
    Thermodynamics
    Electrodes
    Kinetics
    Equivalent circuits
    Numerical analysis
    Gases

    Keywords

    • Equivalent circuit
    • Intercalation
    • Mean-field lattice-gas model
    • Phase transformation
    • Poisson-Nernst-Planck

    ASJC Scopus subject areas

    • Electrochemistry
    • Chemical Engineering(all)

    Cite this

    Thermodynamics and kinetics of phase transformation in intercalation battery electrodes - Phenomenological modeling. / Lai, Wei; Ciucci, Francesco.

    In: Electrochimica Acta, Vol. 56, No. 1, 2010, p. 531-542.

    Research output: Research - peer-reviewArticle

    @article{b50ffb3b8a67459fb2ed17dbae2bd9bc,
    title = "Thermodynamics and kinetics of phase transformation in intercalation battery electrodes - Phenomenological modeling",
    abstract = "Thermodynamics and kinetics of phase transformation in intercalation battery electrodes are investigated by phenomenological models which include a mean-field lattice-gas thermodynamic model and a generalized Poisson-Nernst-Planck equation set based on linear irreversible thermodynamics. The application of modeling to a porous intercalation electrode leads to a hierarchical equivalent circuit with elements of explicit physical meanings. The equivalent circuit corresponding to the intercalation particle of planar, cylindrical and spherical symmetry is reduced to a diffusion equation with concentration dependent diffusivity. The numerical analysis of the diffusion equation suggests the front propagation behavior during phase transformation. The present treatment is also compared with the conventional moving boundary and phase field approaches.",
    keywords = "Equivalent circuit, Intercalation, Mean-field lattice-gas model, Phase transformation, Poisson-Nernst-Planck",
    author = "Wei Lai and Francesco Ciucci",
    year = "2010",
    doi = "10.1016/j.electacta.2010.09.015",
    volume = "56",
    pages = "531--542",
    journal = "Electrochimica Acta",
    issn = "0013-4686",
    publisher = "Elsevier Limited",
    number = "1",

    }

    TY - JOUR

    T1 - Thermodynamics and kinetics of phase transformation in intercalation battery electrodes - Phenomenological modeling

    AU - Lai,Wei

    AU - Ciucci,Francesco

    PY - 2010

    Y1 - 2010

    N2 - Thermodynamics and kinetics of phase transformation in intercalation battery electrodes are investigated by phenomenological models which include a mean-field lattice-gas thermodynamic model and a generalized Poisson-Nernst-Planck equation set based on linear irreversible thermodynamics. The application of modeling to a porous intercalation electrode leads to a hierarchical equivalent circuit with elements of explicit physical meanings. The equivalent circuit corresponding to the intercalation particle of planar, cylindrical and spherical symmetry is reduced to a diffusion equation with concentration dependent diffusivity. The numerical analysis of the diffusion equation suggests the front propagation behavior during phase transformation. The present treatment is also compared with the conventional moving boundary and phase field approaches.

    AB - Thermodynamics and kinetics of phase transformation in intercalation battery electrodes are investigated by phenomenological models which include a mean-field lattice-gas thermodynamic model and a generalized Poisson-Nernst-Planck equation set based on linear irreversible thermodynamics. The application of modeling to a porous intercalation electrode leads to a hierarchical equivalent circuit with elements of explicit physical meanings. The equivalent circuit corresponding to the intercalation particle of planar, cylindrical and spherical symmetry is reduced to a diffusion equation with concentration dependent diffusivity. The numerical analysis of the diffusion equation suggests the front propagation behavior during phase transformation. The present treatment is also compared with the conventional moving boundary and phase field approaches.

    KW - Equivalent circuit

    KW - Intercalation

    KW - Mean-field lattice-gas model

    KW - Phase transformation

    KW - Poisson-Nernst-Planck

    UR - http://www.scopus.com/inward/record.url?scp=78649991952&partnerID=8YFLogxK

    UR - http://www.scopus.com/inward/citedby.url?scp=78649991952&partnerID=8YFLogxK

    U2 - 10.1016/j.electacta.2010.09.015

    DO - 10.1016/j.electacta.2010.09.015

    M3 - Article

    VL - 56

    SP - 531

    EP - 542

    JO - Electrochimica Acta

    T2 - Electrochimica Acta

    JF - Electrochimica Acta

    SN - 0013-4686

    IS - 1

    ER -