Validation based on models

A (working) attempt to add validation based on the model according to issue #29 and following roadmap #22.

This PR is based on #33 and supports blended electrodes for all models.

Added multiple tests and validation that the given model (SPM, SPMe, or DFN) corresponds to a proper parameter set. In the case of SPM, some of the parameters should not be included:

"Header": {
    "BPX": 1.0,
    "Model": "SPM",
},
"Parameterisation": {
    "Cell": {
        "Ambient temperature [K]": 299.0,
        "Initial temperature [K]": 299.0,
        "Reference temperature [K]": 299.0,
        "Electrode area [m2]": 2.0,
        "External surface area [m2]": 2.2,
        "Volume [m3]": 1.0,
        "Number of electrode pairs connected in parallel to make a cell": 1,
        "Nominal cell capacity [A.h]": 5.0,
        "Lower voltage cut-off [V]": 2.0,
        "Upper voltage cut-off [V]": 4.0,
    },
    "Negative electrode": {
        "Particle radius [m]": 5.86e-6,
        "Thickness [m]": 85.2e-6,
        "Diffusivity [m2.s-1]": 3.3e-14,
        "OCP [V]": {"x": [0, 0.1, 1], "y": [1.72, 1.2, 0.06]},
        "Surface area per unit volume [m-1]": 383959,
        "Reaction rate constant [mol.m-2.s-1]": 1e-10,
        "Maximum concentration [mol.m-3]": 33133,
        "Minimum stoichiometry": 0.01,
        "Maximum stoichiometry": 0.99,
    },
    "Positive electrode": {
        "Thickness [m]": 75.6e-6,
        "Particle": {
            "Primary": {
                "Particle radius [m]": 5.22e-6,
                "Diffusivity [m2.s-1]": 4.0e-15,
                "OCP [V]": {"x": [0, 0.1, 1], "y": [1.72, 1.2, 0.06]},
                "Surface area per unit volume [m-1]": 382184,
                "Reaction rate constant [mol.m-2.s-1]": 1e-10,
                "Maximum concentration [mol.m-3]": 63104.0,
                "Minimum stoichiometry": 0.1,
                "Maximum stoichiometry": 0.9,
            },
            "Secondary": {
                "Particle radius [m]": 10.0e-6,
                "Diffusivity [m2.s-1]": 4.0e-15,
                "OCP [V]": {"x": [0, 0.1, 1], "y": [1.72, 1.2, 0.06]},
                "Surface area per unit volume [m-1]": 382184,
                "Reaction rate constant [mol.m-2.s-1]": 1e-10,
                "Maximum concentration [mol.m-3]": 63104.0,
                "Minimum stoichiometry": 0.1,
                "Maximum stoichiometry": 0.9,
            },
        },
    },
},

Note if we change the Model field to DFN or SPMe in this example, this will produce an error. Also note how we defined blended electrode (positive in this example). Some of the parameters are optional.

FaradayInstitution / BPX

Validation based on models #34

Codecov Report