Chromium Solubility =================== This model computes the solubility of chromium in UO₂ as a function of temperature and oxygen potential. It predicts chromium partitioning between a metallic phase (Cr) and an oxide phase (Cr₂O₃) and determines how much chromium is in solution or precipitated in each phase. The default correlation is based on Riglet-Martial et al. (2014). Reference --------- Riglet-Martial et al., J. Nucl. Mater. 447 (2014) 63–72. https://doi.org/10.1016/j.jnucmat.2013.12.021 Inputs ------ The model uses: - ``Temperature`` (history variable) - ``iChromiumSolubility`` (input option selecting the parameter set) - Fuel composition (uranium isotopes) and ``Fuel density`` (sciantix variables) - ``Chromium content`` (sciantix variable) - ``Burnup`` (sciantix variable), used in the Cr₂O₃/Cr partitioning rule Model outline ------------- 1. **Oxygen chemical potential and oxygen pressure** The oxygen chemical potential is evaluated for two reference equilibria (Cr₂O₃ and Cr) and converted into an effective oxygen pressure, expressed as :math:`\log_{10}(p_{\mathrm{O}_2})`. 2. **Chromium solubility in metal and oxide phases** The chromium solubility correlations are evaluated in two temperature regimes (below/above a threshold temperature). The correlations are of the general form: .. math:: x = 10^{\,p\,\log_{10}(p_{\mathrm{O}_2}) + V + \frac{U}{T}} where :math:`T` is the temperature and :math:`(p, V, U)` are model coefficients. The result is converted to chromium **weight percent** in UO₂. 3. **Molar mass of uranium and conversion between wt% and atoms/m³** A temperature-dependent uranium molar mass is computed from the isotopic inventory. The model converts between weight fractions and atomic concentrations to determine chromium atoms in the fuel. 4. **Phase partitioning (Cr₂O₃ fraction)** The fraction of chromium in the oxide phase is computed from an exponential function of temperature, with an additional burnup-dependent correction applied for :math:`B \le 30`: - :math:`f_{\mathrm{Cr_2O_3}} = 1 - \exp(C_1(T - C_2))` - A burnup-dependent shift is applied for low burnup. 5. **Solution vs precipitate** For each phase (metallic Cr and oxide Cr₂O₃), the model compares the available chromium inventory to the solubility limit: - if inventory ≤ solubility → all chromium is in solution - otherwise → excess chromium is assigned to a precipitate reservoir Outputs ------- The model updates the following sciantix variables: - ``Chromium solubility`` (wt% Cr in UO₂) - ``Chromia solubility`` (wt% Cr in UO₂ corresponding to Cr₂O₃ equilibrium) - ``Chromium solution`` / ``Chromium precipitate`` (atoms/m³) - ``Chromia solution`` / ``Chromia precipitate`` (atoms/m³) The same quantities are also stored in the UO₂ material object (matrix properties) for later use by other models.