#492 pulled in mcmb file with activation energies

Author: Scottmar93

input/parameters/lithium-ion/mcmb2528_lif6-in-ecdmc_lico2_parameters_Dualfoil.csv

@@ -66,34 +66,42 @@ Charge transfer coefficient,0.5,Scott Moura FastDFN,
 Double-layer capacity [F.m-2],0.2,,
 ,,,
 # Density,,,
-Negative current collector density [kg.m-3], 8954,, 
-Negative electrode density [kg.m-3], 1657,, 
-Separator density [kg.m-3], 397,, 
-Positive electrode density [kg.m-3], 3262,, 
-Positive current collector density [kg.m-3], 2707,, 
+Negative current collector density [kg.m-3],8954,, 
+Negative electrode density [kg.m-3],1657,, 
+Separator density [kg.m-3],397,, 
+Positive electrode density [kg.m-3],3262,, 
+Positive current collector density [kg.m-3],2707,, 
 ,,,
-# Specific heat capacity
-Negative current collector specific heat capacity [J.kg-1.K-1], 385,,
-Negative electrode specific heat capacity [J.kg-1.K-1], 700,,
-Separator specific heat capacity [J.kg-1.K-1], 700,,
-Negative electrode specific heat capacity [J.kg-1.K-1], 700,,
-Positive current collector specific heat capacity [J.kg-1.K-1], 897,,
+# Specific heat capacity,,,
+Negative current collector specific heat capacity [J.kg-1.K-1],385,,
+Negative electrode specific heat capacity [J.kg-1.K-1],700,,
+Separator specific heat capacity [J.kg-1.K-1],700,,
+Negative electrode specific heat capacity [J.kg-1.K-1],700,,
+Positive current collector specific heat capacity [J.kg-1.K-1],897,,
 ,,,
-# Thermal conductivity
-Negative current collector thermal conductivity [W.m-1.K-1], 401,, 
-Negative electrode thermal conductivity [W.m-1.K-1], 1.7,, 
-Separator thermal conductivity [W.m-1.K-1], 0.16,, 
-Positive electrode thermal conductivity [W.m-1.K-1], 2.1,, 
-Positive current collector thermal conductivity [W.m-1.K-1], 237,, 
+# Thermal conductivity,,,
+Negative current collector thermal conductivity [W.m-1.K-1],401,, 
+Negative electrode thermal conductivity [W.m-1.K-1],1.7,, 
+Separator thermal conductivity [W.m-1.K-1],0.16,, 
+Positive electrode thermal conductivity [W.m-1.K-1],2.1,, 
+Positive current collector thermal conductivity [W.m-1.K-1],237,, 
+,,,
+# Thermal parameters,,,
+Heat transfer coefficient [W.m-2.K-1],10,,
+Typical temperature variation [K],2.4,, 
+Lumped effective thermal density [J.K-1.m-3],1811600,,
+Effective thermal conductivity [W.m-1.K-1],59.3964,,
+,,,
+# Activation energies,,,
+Negative reaction rate activation energy [J.mol-1],3.75E+04,,
+Positive reaction rate activation energy [J.mol-1],3.98E+04,,
+Negative solid diffusion activation energy [J.mol-1],4.28E+04,,
+Positive solid diffusion activation energy [J.mol-1],1.86E+04,,
+Electrolyte diffusion activation energy [J.mol-1],3.70E+04,,
+Electrolyte conductivity activation energy [J.mol-1],3.47E+04,,
 ,,,
-# Thermal parameters
-Heat transfer coefficient [W.m-2.K-1], 10,,
-Typical temperature variation [K], 2.4,, 
-Lumped effective thermal density [J.K-1.m-3], 1.8116E6,,
-Effective thermal conductivity [W.m-1.K-1], 59.3964,,
-
 # Initial Conditions,,,
 Initial concentration in electrolyte [mol.m-3],1000,Scott Moura FastDFN,
 Initial concentration in negative electrode [mol.m-3],19986.609595075,Scott Moura FastDFN,
 Initial concentration in positive electrode [mol.m-3],30730.7554385565,Scott Moura FastDFN,
-Initial temperature [K], 298.15,
+Initial temperature [K],298.15,,

pybamm/__init__.py

@@ -231,6 +231,17 @@ def version(formatted=False):
 from .parameters.standard_current_functions.get_user_current import GetUserCurrent
 from .parameters.standard_current_functions.get_current_data import GetCurrentData
 
+#
+# Voltage profiles
+#
+
+from .parameters.standard_voltage_functions.base_voltage import GetVoltage
+from .parameters.standard_voltage_functions.get_constant_voltage import (
+    GetConstantVoltage,
+)
+from .parameters.standard_voltage_functions.get_user_voltage import GetUserVoltage
+from .parameters.standard_voltage_functions.get_voltage_data import GetVoltageData
+
 #
 # other
 #

pybamm/parameters/electrical_parameters.py

@@ -15,6 +15,7 @@ def abs_non_zero(x):
 # --------------------------------------------------------------------------------------
 # Dimensional Parameters
 I_typ = pybamm.Parameter("Typical current [A]")
+V_typ = pybamm.Parameter("Typical voltage [V]")
 Q = pybamm.Parameter("Cell capacity [A.h]")
 C_rate = abs(I_typ / Q)
 n_electrodes_parallel = pybamm.Parameter(
@@ -38,10 +39,18 @@ def abs_non_zero(x):
     n_electrodes_parallel * pybamm.geometric_parameters.A_cc
 )
 
+# similarly for voltage functions:
+dimensional_voltage_with_time = pybamm.FunctionParameter(
+    "Voltage function", pybamm.t * timescale
+)
+
+
 # Dimensionless current
 current_with_time = (
     dimensional_current_with_time / I_typ * pybamm.Function(np.sign, I_typ)
 )
 current_density_with_time = (
     dimensional_current_density_with_time / i_typ * pybamm.Function(np.sign, I_typ)
 )
+
+voltage_with_time = dimensional_voltage_with_time / V_typ

pybamm/parameters/standard_parameters_lead_acid.py

@@ -40,6 +40,7 @@
 
 # Electrical
 I_typ = pybamm.electrical_parameters.I_typ
+V_typ = pybamm.electrical_parameters.V_typ
 Q = pybamm.electrical_parameters.Q
 C_rate = pybamm.electrical_parameters.C_rate
 n_electrodes_parallel = pybamm.electrical_parameters.n_electrodes_parallel
@@ -441,3 +442,10 @@ def U_p(c_e_p):
 current_density_with_time = (
     dimensional_current_density_with_time / i_typ * pybamm.Function(np.sign, I_typ)
 )
+
+# --------------------------------------------------------------------------------------
+"7. Input voltage"
+dimensional_voltage_with_time = pybamm.FunctionParameter(
+    "Voltage function", pybamm.t * tau_discharge
+)
+voltage_with_time = dimensional_voltage_with_time / V_typ

pybamm/parameters/standard_parameters_lithium_ion.py

@@ -50,6 +50,7 @@
 
 # Electrical
 I_typ = pybamm.electrical_parameters.I_typ
+V_typ = pybamm.electrical_parameters.V_typ
 Q = pybamm.electrical_parameters.Q
 C_rate = pybamm.electrical_parameters.C_rate
 n_electrodes_parallel = pybamm.electrical_parameters.n_electrodes_parallel
@@ -386,3 +387,10 @@ def dUdT_p(c_s_p):
 current_density_with_time = (
     dimensional_current_density_with_time / i_typ * pybamm.Function(np.sign, I_typ)
 )
+
+# --------------------------------------------------------------------------------------
+"7. Input voltage"
+dimensional_voltage_with_time = pybamm.FunctionParameter(
+    "Voltage function", pybamm.t * tau_discharge
+)
+voltage_with_time = dimensional_voltage_with_time / V_typ

pybamm/parameters/standard_voltage_functions/base_current.py pybamm/parameters/standard_voltage_functions/base_voltage.py

@@ -0,0 +1,127 @@
+#
+# Tests for voltage input functions
+#
+import pybamm
+import numbers
+import unittest
+import numpy as np
+
+
+class TestVoltageFunctions(unittest.TestCase):
+    def test_base_voltage(self):
+        function = pybamm.GetVoltage()
+        self.assertEqual(function(10), 1)
+
+    def test_constant_current(self):
+        function = pybamm.GetConstantVoltage(voltage=4)
+        assert isinstance(function(0), numbers.Number)
+        assert isinstance(function(np.zeros(3)), numbers.Number)
+        assert isinstance(function(np.zeros([3, 3])), numbers.Number)
+
+        # test simplify
+        voltage = pybamm.electrical_parameters.voltage_with_time
+        parameter_values = pybamm.ParameterValues(
+            {
+                "Typical voltage [A]": 2,
+                "Typical timescale [s]": 1,
+                "Voltage function": pybamm.GetConstantVoltage(),
+            }
+        )
+        processed_voltage = parameter_values.process_symbol(voltage)
+        self.assertIsInstance(processed_voltage.simplify(), pybamm.Scalar)
+
+    def test_get_current_data(self):
+        # test units
+        function_list = [
+            pybamm.GetVoltageData("US06.csv", units="[V]"),
+            pybamm.GetVoltageData("car_current.csv", units="[]", voltage_scale=10),
+        ]
+        for function in function_list:
+            function.interpolate()
+
+        # test process parameters
+        dimensional_voltage = pybamm.electrical_parameters.dimensional_voltage_with_time
+        parameter_values = pybamm.ParameterValues(
+            {
+                "Typical voltage [V]": 2,
+                "Typical timescale [s]": 1,
+                "Voltage function": pybamm.GetCurrentData(
+                    "car_voltage.csv", units="[]"
+                ),
+            }
+        )
+        dimensional_voltage_eval = parameter_values.process_symbol(dimensional_voltage)
+
+        def voltage(t):
+            return dimensional_voltage_eval.evaluate(t=t)
+
+        function_list.append(voltage)
+
+        standard_tests = StandardVoltageFunctionTests(function_list, always_array=True)
+        standard_tests.test_all()
+
+    def test_user_current(self):
+        # create user-defined sin function
+
+        def my_fun(t, A, omega):
+            return A * np.sin(2 * np.pi * omega * t)
+
+        # choose amplitude and frequency
+        A = pybamm.electrical_parameters.V_typ
+        omega = 3
+
+        # pass my_fun to GetUserVoltage class, giving the additonal parameters as
+        # keyword arguments
+        voltage = pybamm.GetUserVoltage(my_fun, A=A, omega=omega)
+
+        # set and process parameters
+        parameter_values = pybamm.ParameterValues(
+            {
+                "Typical voltage [V]": 2,
+                "Typical timescale [s]": 1,
+                "Voltage function": voltage,
+            }
+        )
+        dimensional_voltage = pybamm.electrical_parameters.dimensional_voltage_with_time
+        dimensional_voltage_eval = parameter_values.process_symbol(dimensional_voltage)
+
+        def user_voltage(t):
+            return dimensional_voltage_eval.evaluate(t=t)
+
+        # check output types
+        standard_tests = StandardVoltageFunctionTests([user_voltage])
+        standard_tests.test_all()
+
+        # check output correct value
+        time = np.linspace(0, 3600, 600)
+        np.testing.assert_array_almost_equal(
+            voltage(time), 2 * np.sin(2 * np.pi * 3 * time)
+        )
+
+
+class StandardVoltageFunctionTests(object):
+    def __init__(self, function_list, always_array=False):
+        self.function_list = function_list
+        self.always_array = always_array
+
+    def test_output_type(self):
+        for function in self.function_list:
+            if self.always_array is True:
+                assert isinstance(function(0), np.ndarray)
+            else:
+                assert isinstance(function(0), numbers.Number)
+            assert isinstance(function(np.zeros(3)), np.ndarray)
+            assert isinstance(function(np.zeros([3, 3])), np.ndarray)
+
+    def test_all(self):
+        self.test_output_type()
+
+
+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()