Parameter set for CBAK 15 Ah LFP cell

pyproject.toml

@@ -151,6 +151,7 @@ Ramadass2004 = "pybamm.input.parameters.lithium_ion.Ramadass2004:get_parameter_v
 Xu2019 = "pybamm.input.parameters.lithium_ion.Xu2019:get_parameter_values"
 ECM_Example = "pybamm.input.parameters.ecm.example_set:get_parameter_values"
 MSMR_Example = "pybamm.input.parameters.lithium_ion.MSMR_example_set:get_parameter_values"
+PKalbhor2024 = "pybamm.input.parameters.lithium_ion.PKalbhor2024:get_parameter_values"
 
 [tool.setuptools]
 include-package-data = true

src/pybamm/input/parameters/lithium_ion/PKalbhor2024.py

@@ -0,0 +1,254 @@
+import pybamm
+import numpy as np
+
+
+def graphite_LGM50_ocp_Chen2020(sto):
+    """
+    LG M50 Graphite open-circuit potential as a function of stochiometry, fit taken
+    from [1]. Prada2013 doesn't give an OCP for graphite, so we use this instead.
+
+    References
+    ----------
+    .. [1] Chang-Hui Chen, Ferran Brosa Planella, Kieran O’Regan, Dominika Gastol, W.
+    Dhammika Widanage, and Emma Kendrick. "Development of Experimental Techniques for
+    Parameterization of Multi-scale Lithium-ion Battery Models." Journal of the
+    Electrochemical Society 167 (2020): 080534.
+
+    Parameters
+    ----------
+    sto: :class:`pybamm.Symbol`
+        Electrode stochiometry
+
+    Returns
+    -------
+    :class:`pybamm.Symbol`
+        Open-circuit potential
+    """
+
+    u_eq = (
+        1.9793 * np.exp(-39.3631 * sto)
+        + 0.2482
+        - 0.0909 * np.tanh(29.8538 * (sto - 0.1234))
+        - 0.04478 * np.tanh(14.9159 * (sto - 0.2769))
+        - 0.0205 * np.tanh(30.4444 * (sto - 0.6103))
+    )
+
+    return u_eq
+
+
+def graphite_LGM50_electrolyte_exchange_current_density_Chen2020(
+    c_e, c_s_surf, c_s_max, T
+):
+    """
+    Exchange-current density for Butler-Volmer reactions between graphite and LiPF6 in
+    EC:DMC.
+
+    References
+    ----------
+    .. [1] Chang-Hui Chen, Ferran Brosa Planella, Kieran O’Regan, Dominika Gastol, W.
+    Dhammika Widanage, and Emma Kendrick. "Development of Experimental Techniques for
+    Parameterization of Multi-scale Lithium-ion Battery Models." Journal of the
+    Electrochemical Society 167 (2020): 080534.
+
+    Parameters
+    ----------
+    c_e : :class:`pybamm.Symbol`
+        Electrolyte concentration [mol.m-3]
+    c_s_surf : :class:`pybamm.Symbol`
+        Particle concentration [mol.m-3]
+    c_s_max : :class:`pybamm.Symbol`
+        Maximum particle concentration [mol.m-3]
+    T : :class:`pybamm.Symbol`
+        Temperature [K]
+
+    Returns
+    -------
+    :class:`pybamm.Symbol`
+        Exchange-current density [A.m-2]
+    """
+    m_ref = 6.48e-7  # (A/m2)(m3/mol)**1.5 - includes ref concentrations
+    E_r = 35000
+    arrhenius = np.exp(E_r / pybamm.constants.R * (1 / 298.15 - 1 / T))
+
+    return m_ref * arrhenius * c_e**0.5 * c_s_surf**0.5 * (c_s_max - c_s_surf) ** 0.5
+
+
+def LFP_ocp_Afshar2017(sto):
+    """
+    Open-circuit potential for LFP.
+
+    Parameters
+    ----------
+    sto : :class:`pybamm.Symbol`
+       Stochiometry of material (li-fraction)
+
+    """
+
+    params = np.array(
+        [
+            -1.21559324e08,
+            8.59031883e08,
+            -2.55287589e09,
+            3.92001561e09,
+            -2.66902118e09,
+            -8.79671575e08,
+            3.06011283e09,
+            -1.59368933e09,
+            -1.48673086e09,
+            3.05709175e09,
+            -2.54153059e09,
+            1.31323857e09,
+            -4.56862227e08,
+            1.07161468e08,
+            -1.58571931e07,
+            1.10403630e06,
+            6.15187778e04,
+            -2.14719261e04,
+            2.06397700e03,
+            -9.98651833e01,
+            5.97233035e00,
+        ]
+    )
+    poly = np.polynomial.Polynomial(params[::-1])
+    return poly(sto)
+
+
+def LFP_electrolyte_exchange_current_density_kashkooli2017(c_e, c_s_surf, c_s_max, T):
+    """
+    Exchange-current density for Butler-Volmer reactions between LFP and electrolyte
+
+    References
+    ----------
+    .. [1] Kashkooli, A. G., Amirfazli, A., Farhad, S., Lee, D. U., Felicelli, S., Park,
+    H. W., ... & Chen, Z. (2017). Representative volume element model of lithium-ion
+    battery electrodes based on X-ray nano-tomography. Journal of Applied
+    Electrochemistry, 47(3), 281-293.
+
+    Parameters
+    ----------
+    c_e : :class:`pybamm.Symbol`
+        Electrolyte concentration [mol.m-3]
+    c_s_surf : :class:`pybamm.Symbol`
+        Particle concentration [mol.m-3]
+    c_s_max : :class:`pybamm.Symbol`
+        Maximum particle concentration [mol.m-3]
+    T : :class:`pybamm.Symbol`
+        Temperature [K]
+
+    Returns
+    -------
+    :class:`pybamm.Symbol`
+        Exchange-current density [A.m-2]
+    """
+
+    m_ref = 6 * 10 ** (-7)  # (A/m2)(m3/mol)**1.5 - includes ref concentrations
+    E_r = 39570
+    arrhenius = np.exp(E_r / pybamm.constants.R * (1 / 298.15 - 1 / T))
+
+    return m_ref * arrhenius * c_e**0.5 * c_s_surf**0.5 * (c_s_max - c_s_surf) ** 0.5
+
+
+def electrolyte_conductivity_Prada2013(c_e, T):
+    """
+    Conductivity of LiPF6 in EC:EMC (3:7) as a function of ion concentration. The data
+    comes from :footcite:`Prada2013`.
+
+    Parameters
+    ----------
+    c_e: :class:`pybamm.Symbol`
+        Dimensional electrolyte concentration
+    T: :class:`pybamm.Symbol`
+        Dimensional temperature
+
+    Returns
+    -------
+    :class:`pybamm.Symbol`
+        Solid conductivity
+    """
+    # convert c_e from mol/m3 to mol/L
+    c_e = c_e / 1e6
+
+    sigma_e = (
+        4.1253e-4
+        + 5.007 * c_e
+        - 4721.2 * c_e**2
+        + 1.5094e6 * c_e**3
+        - 1.6018e8 * c_e**4
+    ) * 1e3
+
+    return sigma_e
+
+
+# Call dict via a function to avoid errors when editing in place
+def get_parameter_values():
+    """
+    Parameters for an LFP cell, from the paper :footcite:t:`Prada2013`
+    """
+
+    return {
+        "chemistry": "lithium_ion",
+        # cell
+        "Negative electrode thickness [m]": 154.36e-06,
+        "Separator thickness [m]": 10e-06,
+        "Positive electrode thickness [m]": 169e-06,
+        "Electrode height [m]": 120.93e-03,  # to give an area of 0.18 m2
+        "Electrode width [m]": 2.141,  # to give an area of 0.18 m2
+        "Nominal cell capacity [A.h]": 15,
+        "Current function [A]": 2.3,
+        "Contact resistance [Ohm]": 0,
+        # negative electrode
+        "Negative electrode conductivity [S.m-1]": 215.0,
+        "Maximum concentration in negative electrode [mol.m-3]": 16800,
+        "Negative particle diffusivity [m2.s-1]": 3e-15,
+        "Negative electrode OCP [V]": graphite_LGM50_ocp_Chen2020,
+        "Negative electrode porosity": 0.36,
+        "Negative electrode active material volume fraction": 0.6655,
+        "Negative particle radius [m]": 5e-6,
+        "Negative electrode Bruggeman coefficient (electrolyte)": 1.5,
+        "Negative electrode Bruggeman coefficient (electrode)": 1.5,
+        "Negative electrode charge transfer coefficient": 0.5,
+        "Negative electrode double-layer capacity [F.m-2]": 0.2,
+        "Negative electrode exchange-current density [A.m-2]"
+        "": graphite_LGM50_electrolyte_exchange_current_density_Chen2020,
+        "Negative electrode OCP entropic change [V.K-1]": 0,
+        # positive electrode
+        "Positive electrode conductivity [S.m-1]": 0.33795074,
+        "Maximum concentration in positive electrode [mol.m-3]": 12800,
+        "Positive particle diffusivity [m2.s-1]": 5.9e-18,
+        "Positive electrode OCP [V]": LFP_ocp_Afshar2017,
+        "Positive electrode porosity": 0.426,
+        "Positive electrode active material volume fraction": 0.6259,
+        "Positive particle radius [m]": 5e-08,
+        "Positive electrode Bruggeman coefficient (electrode)": 1.5,
+        "Positive electrode Bruggeman coefficient (electrolyte)": 1.5,
+        "Positive electrode charge transfer coefficient": 0.5,
+        "Positive electrode double-layer capacity [F.m-2]": 0.2,
+        "Positive electrode exchange-current density [A.m-2]"
+        "": LFP_electrolyte_exchange_current_density_kashkooli2017,
+        "Positive electrode OCP entropic change [V.K-1]": 0,
+        # separator
+        "Separator porosity": 0.45,
+        "Separator Bruggeman coefficient (electrolyte)": 1.5,
+        # electrolyte
+        "Initial concentration in electrolyte [mol.m-3]": 1200.0,
+        "Cation transference number": 0.36,
+        "Thermodynamic factor": 1.0,
+        "Electrolyte diffusivity [m2.s-1]": 2e-10,
+        "Electrolyte conductivity [S.m-1]": electrolyte_conductivity_Prada2013,
+        # experiment
+        "Reference temperature [K]": 298,
+        "Ambient temperature [K]": 298,
+        "Number of electrodes connected in parallel to make a cell": 1.0,
+        "Number of cells connected in series to make a battery": 1.0,
+        "Lower voltage cut-off [V]": 2.0,
+        "Upper voltage cut-off [V]": 3.6,
+        "Open-circuit voltage at 0% SOC [V]": 2.0,
+        "Open-circuit voltage at 100% SOC [V]": 3.6,
+        # initial concentrations adjusted to give 2.3 Ah cell with 3.6 V OCV at 100% SOC
+        # and 2.0 V OCV at 0% SOC
+        "Initial concentration in negative electrode [mol.m-3]": 0.72 * 34000,
+        "Initial concentration in positive electrode [mol.m-3]": 0.0038 * 30000,
+        "Initial temperature [K]": 298,
+        # citations
+        "citations": ["Chen2020", "Prada2013"],
+    }

src/pybamm/input/parameters/lithium_ion/__init__.py

@@ -2,4 +2,4 @@
            'Ecker2015_graphite_halfcell', 'MSMR_example_set', 'Marquis2019',
            'Mohtat2020', 'NCA_Kim2011', 'OKane2022',
            'OKane2022_graphite_SiOx_halfcell', 'ORegan2022', 'Prada2013',
-           'Ramadass2004', 'Xu2019']
+           'Ramadass2004', 'Xu2019', 'PKalbhor2024']