#936 ferran comments

pybamm-team · Apr 6, 2020 · d6943ec · d6943ec
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diff --git a/...ut/parameters/lithium-ion/anodes/graphite_Chen2020/graphite_LGM50_diffusivity_Chen2020.py b/...ut/parameters/lithium-ion/anodes/graphite_Chen2020/graphite_LGM50_diffusivity_Chen2020.py
@@ -27,6 +27,7 @@ def graphite_LGM50_diffusivity_Chen2020(sto, T):
    """
 
     D_ref = 3.3e-14
-    arrhenius = exp(42770 / constants.R * (1 / 298.15 - 1 / T))
+    E_D_s = 42770
+    arrhenius = exp(E_D_s / constants.R * (1 / 298.15 - 1 / T))
 
     return D_ref * arrhenius
diff --git a/...lithium-ion/anodes/graphite_Chen2020/graphite_LGM50_electrolyte_reaction_rate_Chen2020.py b/...lithium-ion/anodes/graphite_Chen2020/graphite_LGM50_electrolyte_reaction_rate_Chen2020.py
@@ -24,6 +24,7 @@ def graphite_LGM50_electrolyte_reaction_rate_Chen2020(T):
     """
 
     m_ref = 6.48e-7
-    arrhenius = exp(3500 / constants.R * (1 / 298.15 - 1 / T))
+    E_r = 35000
+    arrhenius = exp(E_r / constants.R * (1 / 298.15 - 1 / T))
 
     return m_ref * arrhenius
diff --git a/pybamm/input/parameters/lithium-ion/anodes/graphite_Chen2020/parameters.csv b/pybamm/input/parameters/lithium-ion/anodes/graphite_Chen2020/parameters.csv
@@ -31,6 +31,5 @@ Negative electrode specific heat capacity [J.kg-1.K-1],700,default,
 Negative electrode thermal conductivity [W.m-1.K-1],1.7,default,
 Negative electrode OCP entropic change [V.K-1],0,,
 ,,,
-# Activation energies,,,
-Reference temperature [K],298.15,25C,
+# Reaction rate,,,
 Negative electrode reaction rate,[function]graphite_LGM50_electrolyte_reaction_rate_Chen2020,,
diff --git a/pybamm/input/parameters/lithium-ion/anodes/graphite_Ecker2015/parameters.csv b/pybamm/input/parameters/lithium-ion/anodes/graphite_Ecker2015/parameters.csv
@@ -25,7 +25,5 @@ Negative electrode electrons in reaction,1,,
 # Thermal parameters,,,
 Negative electrode OCP entropic change [V.K-1],0,,
 ,,,
-# Activation energies,,,
-Reference temperature [K],296.15,23C,
+# Reaction rate,,,
 Negative electrode reaction rate,[function]graphite_electrolyte_reaction_rate_Ecker2015,,
-Negative reaction rate activation energy [J.mol-1],53400,,
diff --git a/pybamm/input/parameters/lithium-ion/anodes/graphite_Kim2011/parameters.csv b/pybamm/input/parameters/lithium-ion/anodes/graphite_Kim2011/parameters.csv
@@ -31,6 +31,5 @@ Negative electrode specific heat capacity [J.kg-1.K-1],700,,
 Negative electrode thermal conductivity [W.m-1.K-1],1.1339,1.7 * 0.667,
 Negative electrode OCP entropic change [V.K-1],0,,
 ,,,
-# Activation energies,,,
-Reference temperature [K],298.15,25C,
+# Reaction rate,,,
 Negative electrode reaction rate,[function]graphite_electrolyte_reaction_rate_Kim2011,,
diff --git a/pybamm/input/parameters/lithium-ion/anodes/graphite_UMBL_Mohtat2020/parameters.csv b/pybamm/input/parameters/lithium-ion/anodes/graphite_UMBL_Mohtat2020/parameters.csv
@@ -34,6 +34,5 @@ Negative electrode specific heat capacity [J.kg-1.K-1],1100,Peyman MPM,cell lump
 Negative electrode thermal conductivity [W.m-1.K-1],1.7,,no info from Peyman MPM
 Negative electrode OCP entropic change [V.K-1],[function]graphite_entropic_change_PeymanMPM,,
 ,,,
-# Activation energies,,,
-Reference temperature [K],298.15,25C,
+# Reaction rate,,,
 Negative electrode reaction rate,[function]graphite_electrolyte_reaction_rate_PeymanMPM,,
diff --git a/pybamm/input/parameters/lithium-ion/anodes/graphite_mcmb2528_Marquis2019/parameters.csv b/pybamm/input/parameters/lithium-ion/anodes/graphite_mcmb2528_Marquis2019/parameters.csv
@@ -31,6 +31,5 @@ Negative electrode specific heat capacity [J.kg-1.K-1],700,,
 Negative electrode thermal conductivity [W.m-1.K-1],1.7,,
 Negative electrode OCP entropic change [V.K-1],[function]graphite_entropic_change_Moura2016,,
 ,,,
-# Activation energies,,,
-Reference temperature [K],298.15,25C,
+# Reaction rate,,,
 Negative electrode reaction rate,[function]graphite_electrolyte_reaction_rate_Dualfoil1998,,
diff --git a/pybamm/input/parameters/lithium-ion/cathodes/LiNiCoO2_Ecker2015/parameters.csv b/pybamm/input/parameters/lithium-ion/cathodes/LiNiCoO2_Ecker2015/parameters.csv
@@ -26,6 +26,5 @@ Positive electrode electrons in reaction,1,,
 # Thermal parameters,,,
 Positive electrode OCP entropic change [V.K-1],0,,
 ,,,
-# Activation energies,,,
-Reference temperature [K],296.15,23C,
+# Reaction rate,,,
 Positive electrode reaction rate,[function]nco_electrolyte_reaction_rate_Ecker2015,,
diff --git a/pybamm/input/parameters/lithium-ion/cathodes/NMC_UMBL_Mohtat2020/parameters.csv b/pybamm/input/parameters/lithium-ion/cathodes/NMC_UMBL_Mohtat2020/parameters.csv
@@ -33,6 +33,5 @@ Positive electrode specific heat capacity [J.kg-1.K-1],1100,Peyman MPM, cell lum
 Positive electrode thermal conductivity [W.m-1.K-1],2.1,,no info from Peyman MPM
 Positive electrode OCP entropic change [V.K-1],[function]NMC_entropic_change_PeymanMPM,
 ,,,
-# Activation energies,,,
-Reference temperature [K],298.15,25C,
+# Reaction rate,,,
 Positive electrode reaction rate,[function]NMC_electrolyte_reaction_rate_PeymanMPM,,
diff --git a/pybamm/input/parameters/lithium-ion/cathodes/lico2_Marquis2019/parameters.csv b/pybamm/input/parameters/lithium-ion/cathodes/lico2_Marquis2019/parameters.csv
@@ -31,6 +31,5 @@ Positive electrode specific heat capacity [J.kg-1.K-1],700,,
 Positive electrode thermal conductivity [W.m-1.K-1],2.1,,
 Positive electrode OCP entropic change [V.K-1],[function]lico2_entropic_change_Moura2016,,
 ,,,
-# Activation energies,,,
-Reference temperature [K],298.15,25C,
+# Reaction rate,,,
 Positive electrode reaction rate,[function]lico2_electrolyte_reaction_rate_Dualfoil1998,,
diff --git a/pybamm/input/parameters/lithium-ion/cathodes/nca_Kim2011/parameters.csv b/pybamm/input/parameters/lithium-ion/cathodes/nca_Kim2011/parameters.csv
@@ -31,6 +31,5 @@ Positive electrode specific heat capacity [J.kg-1.K-1],700,,
 Positive electrode thermal conductivity [W.m-1.K-1],1.4007, 2.1 * 0.667,
 Positive electrode OCP entropic change [V.K-1],0,,
 ,,,
-# Activation energies,,,
-Reference temperature [K],298.15,25C,
+# Reaction rate,,,
 Positive electrode reaction rate,[function]nca_electrolyte_reaction_rate_Kim2011,,
diff --git a/pybamm/input/parameters/lithium-ion/cathodes/nmc_Chen2020/parameters.csv b/pybamm/input/parameters/lithium-ion/cathodes/nmc_Chen2020/parameters.csv
@@ -31,6 +31,5 @@ Positive electrode specific heat capacity [J.kg-1.K-1],700,default,
 Positive electrode thermal conductivity [W.m-1.K-1],2.1,default,
 Positive electrode OCP entropic change [V.K-1],0,,
 ,,,
-# Activation energies,,,
-Reference temperature [K],298.15,25C,
+# Reaction rate,,,
 Positive electrode reaction rate,[function]nmc_LGM50_electrolyte_reaction_rate_Chen2020,,
diff --git a/pybamm/input/parameters/lithium-ion/electrolytes/LiPF6_Mohtat2020/parameters.csv b/pybamm/input/parameters/lithium-ion/electrolytes/LiPF6_Mohtat2020/parameters.csv
@@ -8,6 +8,3 @@ Cation transference number,0.38,Peyman MPM,
 Typical lithium ion diffusivity [m2.s-1],5.34E-10,Scott Moura FastDFN,
 Electrolyte diffusivity [m2.s-1],[function]electrolyte_diffusivity_PeymanMPM,, 
 Electrolyte conductivity [S.m-1],[function]electrolyte_conductivity_PeymanMPM,, 
-,,,
-# Activation energies,,,
-Reference temperature [K],298.15,25C,
diff --git a/pybamm/input/parameters/lithium-ion/electrolytes/lipf6_Ecker2015/parameters.csv b/pybamm/input/parameters/lithium-ion/electrolytes/lipf6_Ecker2015/parameters.csv
@@ -7,6 +7,3 @@ Cation transference number,0.26,,
 1 + dlnf/dlnc,1,,
 Electrolyte diffusivity [m2.s-1],[function]electrolyte_diffusivity_Ecker2015,,
 Electrolyte conductivity [S.m-1],[function]electrolyte_conductivity_Ecker2015,,
-,,,
-# Activation energies,,,
-Reference temperature [K],296.15,23C,
diff --git a/pybamm/input/parameters/lithium-ion/electrolytes/lipf6_Kim2011/parameters.csv b/pybamm/input/parameters/lithium-ion/electrolytes/lipf6_Kim2011/parameters.csv
@@ -7,6 +7,3 @@ Cation transference number,0.4,Reported as a function in Kim2011 (Implement late
 1 + dlnf/dlnc,1,,
 Electrolyte diffusivity [m2.s-1],[function]electrolyte_diffusivity_Kim2011,,
 Electrolyte conductivity [S.m-1],[function]electrolyte_conductivity_Kim2011,,
-,,,
-# Activation energies,,,
-Reference temperature [K],298.15,25C,
diff --git a/pybamm/input/parameters/lithium-ion/electrolytes/lipf6_Marquis2019/parameters.csv b/pybamm/input/parameters/lithium-ion/electrolytes/lipf6_Marquis2019/parameters.csv
@@ -7,6 +7,3 @@ Cation transference number,0.4,Scott Moura FastDFN,
 1 + dlnf/dlnc,1,,
 Electrolyte diffusivity [m2.s-1],[function]electrolyte_diffusivity_Capiglia1999,, 
 Electrolyte conductivity [S.m-1],[function]electrolyte_conductivity_Capiglia1999,,
-,,,
-# Activation energies,,,
-Reference temperature [K],298.15,25C,
diff --git a/pybamm/input/parameters/lithium-ion/electrolytes/lipf6_Nyman2008/parameters.csv b/pybamm/input/parameters/lithium-ion/electrolytes/lipf6_Nyman2008/parameters.csv
@@ -6,7 +6,4 @@ Typical electrolyte concentration [mol.m-3],1000,Chen 2020,
 Cation transference number,0.2594,Chen 2020,
 1 + dlnf/dlnc,1,,
 Electrolyte diffusivity [m2.s-1],[function]electrolyte_diffusivity_Nyman2008,Nyman 2008," "
-Electrolyte conductivity [S.m-1],[function]electrolyte_conductivity_Nyman2008,Nyman 2008," "
-,,,
-# Activation energies,,,
-Reference temperature [K],298.15,25C,
+Electrolyte conductivity [S.m-1],[function]electrolyte_conductivity_Nyman2008,Nyman 2008," "
diff --git a/tests/unit/test_parameters/test_parameter_sets/test_LGM50_Chen2020.py b/tests/unit/test_parameters/test_parameter_sets/test_LGM50_Chen2020.py
@@ -12,22 +12,22 @@ def test_load_params(self):
                 "input/parameters/lithium-ion/anodes/graphite_Chen2020/parameters.csv"
             )
         )
-        self.assertEqual(anode["Reference temperature [K]"], "298.15")
+        self.assertEqual(anode["Negative electrode porosity"], "0.25")
 
         cathode = pybamm.ParameterValues({}).read_parameters_csv(
             pybamm.get_parameters_filepath(
                 "input/parameters/lithium-ion/cathodes/nmc_Chen2020/parameters.csv"
             )
         )
-        self.assertEqual(cathode["Reference temperature [K]"], "298.15")
+        self.assertEqual(cathode["Positive electrode porosity"], "0.335")
 
         electrolyte = pybamm.ParameterValues({}).read_parameters_csv(
             pybamm.get_parameters_filepath(
                 "input/parameters/lithium-ion/electrolytes/lipf6_Nyman2008/"
                 + "parameters.csv"
             )
         )
-        self.assertEqual(electrolyte["Reference temperature [K]"], "298.15")
+        self.assertEqual(electrolyte["Cation transference number"], "0.2594")
 
         cell = pybamm.ParameterValues({}).read_parameters_csv(
             pybamm.get_parameters_filepath(

diff --git a/tests/unit/test_parameters/test_parameter_sets/test_NCA_Kim2011.py b/tests/unit/test_parameters/test_parameter_sets/test_NCA_Kim2011.py
@@ -12,21 +12,21 @@ def test_load_params(self):
                 "input/parameters/lithium-ion/anodes/graphite_Kim2011/parameters.csv"
             )
         )
-        self.assertEqual(anode["Reference temperature [K]"], "298.15")
+        self.assertEqual(anode["Negative electrode porosity"], "0.4")
 
         cathode = pybamm.ParameterValues({}).read_parameters_csv(
             pybamm.get_parameters_filepath(
                 "input/parameters/lithium-ion/cathodes/nca_Kim2011/parameters.csv"
             )
         )
-        self.assertEqual(cathode["Reference temperature [K]"], "298.15")
+        self.assertEqual(cathode["Positive electrode porosity"], "0.4")
 
         electrolyte = pybamm.ParameterValues({}).read_parameters_csv(
             pybamm.get_parameters_filepath(
                 "input/parameters/lithium-ion/electrolytes/lipf6_Kim2011/parameters.csv"
             )
         )
-        self.assertEqual(electrolyte["Reference temperature [K]"], "298.15")
+        self.assertEqual(electrolyte["Cation transference number"], "0.4")
 
         cell = pybamm.ParameterValues({}).read_parameters_csv(
             pybamm.get_parameters_filepath(

diff --git a/tests/unit/test_parameters/test_parameter_sets/test_NCO_Ecker2015.py b/tests/unit/test_parameters/test_parameter_sets/test_NCO_Ecker2015.py
@@ -26,7 +26,7 @@ def test_load_params(self):
                 + "parameters.csv"
             )
         )
-        self.assertEqual(electrolyte["Reference temperature [K]"], "296.15")
+        self.assertEqual(electrolyte["Cation transference number"], "0.26")
 
         cell = pybamm.ParameterValues({}).read_parameters_csv(
             pybamm.get_parameters_filepath(

diff --git a/tests/unit/test_parameters/test_parameter_sets/test_UMBL_Mohtat2020.py b/tests/unit/test_parameters/test_parameter_sets/test_UMBL_Mohtat2020.py
@@ -9,27 +9,27 @@ class TestMohtat(unittest.TestCase):
     def test_load_params(self):
         anode = pybamm.ParameterValues({}).read_parameters_csv(
             pybamm.get_parameters_filepath(
-                "input/parameters/lithium-ion/" +
-                "anodes/graphite_UMBL_Mohtat2020/parameters.csv"
+                "input/parameters/lithium-ion/"
+                + "anodes/graphite_UMBL_Mohtat2020/parameters.csv"
             )
         )
-        self.assertEqual(anode["Reference temperature [K]"], "298.15")
+        self.assertEqual(anode["Negative electrode porosity"], "0.3")
 
         cathode = pybamm.ParameterValues({}).read_parameters_csv(
             pybamm.get_parameters_filepath(
-                "input/parameters/lithium-ion/" +
-                "cathodes/NMC_UMBL_Mohtat2020/parameters.csv"
+                "input/parameters/lithium-ion/"
+                + "cathodes/NMC_UMBL_Mohtat2020/parameters.csv"
             )
         )
-        self.assertEqual(cathode["Reference temperature [K]"], "298.15")
+        self.assertEqual(cathode["Positive electrode porosity"], "0.3")
 
         electrolyte = pybamm.ParameterValues({}).read_parameters_csv(
             pybamm.get_parameters_filepath(
                 "input/parameters/lithium-ion/electrolytes/LiPF6_Mohtat2020/"
                 + "parameters.csv"
             )
         )
-        self.assertEqual(electrolyte["Reference temperature [K]"], "298.15")
+        self.assertEqual(electrolyte["Cation transference number"], "0.38")
 
         cell = pybamm.ParameterValues({}).read_parameters_csv(
             pybamm.get_parameters_filepath(

diff --git a/tests/unit/test_parameters/test_parameter_values.py b/tests/unit/test_parameters/test_parameter_values.py
@@ -23,7 +23,7 @@ def test_read_parameters_csv(self):
                 )
             )
         )
-        self.assertEqual(data["Reference temperature [K]"], "298.15")
+        self.assertEqual(data["Positive electrode porosity"], "0.3")
 
     def test_init(self):
         # from dict
@@ -40,7 +40,7 @@ def test_init(self):
                 + "parameters.csv"
             )
         )
-        self.assertEqual(param["Reference temperature [K]"], 298.15)
+        self.assertEqual(param["Positive electrode porosity"], 0.3)
 
         # values vs chemistry
         with self.assertRaisesRegex(

diff --git a/tests/unit/test_parameters/test_parameters_cli.py b/tests/unit/test_parameters/test_parameters_cli.py
@@ -56,7 +56,7 @@ def test_add_param(self):
         new_anode = pybamm.ParameterValues({}).read_parameters_csv(
             new_parameter_filename
         )
-        self.assertEqual(new_anode["Reference temperature [K]"], "298.15")
+        self.assertEqual(new_anode["Negative electrode porosity"], "0.3")
 
         # Clean up directories
         tempdir.cleanup()  # Remove temporary local directory