#729 setting up tests for ecker set

Author: Scottmar93

input/parameters/lithium-ion/anodes/graphite_Ecker2015/parameters.csv

@@ -10,8 +10,10 @@ Negative electrode OCP [V],[data]graphite_ocp_Ecker2015,,
 # Microstructure,,,
 Negative electrode porosity,0.329,,
 Negative particle radius [m],1.37E-05,,
+Negative particle distribution in x,1,,
 Negative electrode surface area density [m-1],81548,,
-Negative electrode Bruggeman coefficient,N/A,,
+Negative electrode Bruggeman coefficient (electrolyte),1.5,Ecker paper uses tortuosity measurment instead,
+Negative electrode Bruggeman coefficient (electrode),1.5,Ecker paper uses tortuosity measurment instead,
 ,,,
 # Interfacial reactions,,,
 Negative electrode cation signed stoichiometry,-1,,

input/parameters/lithium-ion/cathodes/LiNiCoO2_Ecker2015/lico2_ocp_Dualfoil1998.py

@@ -1,13 +1,18 @@
 import autograd.numpy as np
 
 
-def lico2_electrolyte_reaction_rate_Dualfoil1998(T, T_inf, E_r, R_g):
+def nco_electrolyte_reaction_rate_Ecker2015(T, T_inf, E_r, R_g):
     """
-    Reaction rate for Butler-Volmer reactions between lico2 and LiPF6 in EC:DMC.
+    Reaction rate for Butler-Volmer reactions between LiNiCoO2 and LiPF6 in EC:DMC [1, 2].
 
     References
     ----------
-    .. [2] http://www.cchem.berkeley.edu/jsngrp/fortran.html
+       .. [1] Ecker, Madeleine, et al. "Parameterization of a physico-chemical model of
+    a lithium-ion battery i. determination of parameters." Journal of the
+    Electrochemical Society 162.9 (2015): A1836-A1848.
+    .. [2] Ecker, Madeleine, et al. "Parameterization of a physico-chemical model of
+    a lithium-ion battery ii. model validation." Journal of The Electrochemical
+    Society 162.9 (2015): A1849-A1857.
 
     Parameters
     ----------

input/parameters/lithium-ion/cathodes/LiNiCoO2_Ecker2015/nco_electrolyte_reaction_rate_Ecker2015.py

@@ -10,8 +10,10 @@ Positive electrode OCP [V],[data]nco_ocp_Ecker2015,,
 # Microstructure,,,
 Positive electrode porosity,0.296,,
 Positive particle radius [m],1E-05,,
+Positive particle distribution in x,1,,
 Positive electrode surface area density [m-1],188455,,
-Positive electrode Bruggeman coefficient,N/A,,
+Positive electrode Bruggeman coefficient (electrolyte),1.5,Ecker paper uses tortuosity measurment instead,
+Positive electrode Bruggeman coefficient (electrode),1.5, Ecker paper uses tortuosity measurment instead,
 ,,,
 # Interfacial reactions,,,
 Positive electrode cation signed stoichiometry,-1,,

input/parameters/lithium-ion/cathodes/LiNiCoO2_Ecker2015/parameters.csv

@@ -33,4 +33,5 @@ Negative current collector thermal conductivity [W.m-1.K-1],N/A,,
 Positive current collector thermal conductivity [W.m-1.K-1],N/A,,
 ,,,
 # Electrical,,,
-Cell capacity [A.h],N/A,,
+Cell capacity [A.h],0.326,,7.5 [A.h] cell with 23 layers
+Typical current [A],0.325,,1C current

input/parameters/lithium-ion/cells/kokam_Ecker2015/parameters.csv

@@ -0,0 +1,6 @@
+# 1C discharge from full
+
+Discharge lithium-ion battery from full charge at 1C, using the initial conditions from the paper
+
+>Ecker, Madeleine, et al. "Parameterization of a physico-chemical model of a lithium-ion battery II. Model validation." Journal of The Electrochemical Society 162.9 (2015): A1849-A1857..
+

input/parameters/lithium-ion/experiments/1C_discharge_from_full_Ecker2015/README.md

@@ -0,0 +1,19 @@
+Name [units],Value,Reference,Notes
+# Empty rows and rows starting with ‘#’ will be ignored,,,
+,,,
+# Temperature
+Reference temperature [K],296.15,23C,
+Heat transfer coefficient [W.m-2.K-1],N/A,,
+,,,
+# Electrical
+Number of electrodes connected in parallel to make a cell,1,,
+Number of cells connected in series to make a battery,1,,
+Lower voltage cut-off [V],2.8,,
+Upper voltage cut-off [V],4.7,,
+C-rate,1,,
+,,,
+# Initial conditions
+Initial concentration in negative electrode [mol.m-3], 26356,
+Initial concentration in positive electrode [mol.m-3], 2197,,
+Initial concentration in electrolyte [mol.m-3],1000,,
+Initial temperature [K],296.15,,

input/parameters/lithium-ion/experiments/1C_discharge_from_full_Ecker2015/parameters.csv

@@ -11,6 +11,9 @@
     Chapman. "An asymptotic derivation of a single particle model with electrolyte."
     `arXiv preprint arXiv:1905.12553 <https://arxiv.org/abs/1905.12553>`_ (2019).
 
+Ecker2015
+    Ecker, Madeleine, et al. "Parameterization of a physico-chemical model of a lithium-ion battery i. determination of parameters." Journal of the Electrochemical Society 162.9 (2015): A1836-A1848.
+    Ecker, Madeleine, et al. "Parameterization of a physico-chemical model of a lithium-ion battery II. Model validation." Journal of The Electrochemical Society 162.9 (2015): A1849-A1857.
 
 Lead-acid
 ---------
@@ -34,6 +37,16 @@
     "experiment": "1C_discharge_from_full_Marquis2019",
 }
 
+Ecker2015 = {
+    "chemistry": "lithium-ion",
+    "cell": "kokam_Ecker2015",
+    "anode": "graphite_Ecker2015",
+    "separator": "separator_Ecker2015",
+    "cathode": "LiNiCoO2_Ecker2015",
+    "electrolyte": "lipf6_Ecker2015",
+    "experiment": "1C_discharge_from_full_Ecker2015",
+}
+
 #
 # Lead-acid
 #

pybamm/parameters/parameter_sets.py

@@ -0,0 +1,53 @@
+#
+# Test the Ecker 2015 NCO cell parameter set
+#
+import pybamm
+import numbers
+import unittest
+import numpy as np
+
+
+class TestEcker(unittest.TestCase):
+    def test_load_params(self):
+        anode = pybamm.ParameterValues({}).read_parameters_csv(
+            "input/parameters/lithium-ion/anodes/graphite_Ecker2015/parameters.csv"
+        )
+        self.assertEqual(anode["Reference temperature [K]"], "296.15")
+
+        cathode = pybamm.ParameterValues({}).read_parameters_csv(
+            "input/parameters/lithium-ion/cathodes/LiNiCoO2_Ecker2015/parameters.csv"
+        )
+        self.assertEqual(cathode["Reference temperature [K]"], "296.15")
+
+        electrolyte = pybamm.ParameterValues({}).read_parameters_csv(
+            "input/parameters/lithium-ion/electrolytes/lipf6_Ecker2015/parameters.csv"
+        )
+        self.assertEqual(electrolyte["Reference temperature [K]"], "296.15")
+
+        cell = pybamm.ParameterValues({}).read_parameters_csv(
+            "input/parameters/lithium-ion/cells/kokam_Ecker2015/parameters.csv"
+        )
+        self.assertAlmostEqual(
+            cell["Negative current collector thickness [m]"], 1.4 * 10 ** (-5)
+        )
+
+    def test_standard_lithium_parameters(self):
+
+        parameter_values = pybamm.ParameterValues(
+            chemistry=pybamm.parameter_sets.Ecker2015
+        )
+        model = pybamm.lithium_ion.DFN()
+        sim = pybamm.Simulation(model, parameter_values=parameter_values)
+        sim.set_parameters()
+
+        # sim.build()
+
+
+if __name__ == "__main__":
+    print("Add -v for more debug output")
+    import sys
+
+    if "-v" in sys.argv:
+        debug = True
+    pybamm.settings.debug_mode = True
+    unittest.main()