#729 tried adding entropic change functions

Author: Scottmar93

examples/scripts/ecker_set.py

@@ -0,0 +1,16 @@
+import pybamm as pb
+
+pb.set_logging_level("DEBUG")
+
+model = pb.lithium_ion.DFN()
+# model.convert_to_format = "python"
+
+chemistry = pb.parameter_sets.Ecker2015
+# chemistry = pb.parameter_sets.Marquis2019
+parameter_values = pb.ParameterValues(chemistry=chemistry)
+
+sim = pb.Simulation(model, parameter_values=parameter_values)
+
+solver = pb.CasadiSolver(mode="safe")
+sim.solve(solver=solver)
+

input/parameters/lithium-ion/anodes/graphite_Ecker2015/graphite_entropic_change_NULL.py

@@ -0,0 +1,8 @@
+def graphite_entropic_change_NULL(sto, c_n_max):
+    """
+        Entered as a function to be consistent with
+        other PyBaMM parameter sets.
+
+
+    """
+    return 0 * sto

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

@@ -26,7 +26,7 @@ Negative electrode charge transfer coefficient,0.489,,
 Negative electrode double-layer capacity [F.m-2],0.2,,
 ,,,
 # Thermal parameters,,,
-Negative electrode OCP entropic change [V.K-1],0,,
+Negative electrode OCP entropic change [V.K-1],[function]graphite_entropic_change_NULL,,
 ,,,
 # Activation energies,,,
 Reference temperature [K],296.15,23C,

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

@@ -0,0 +1,6 @@
+def nco_entropic_change_NULL(sto, c_p_max):
+    """
+        Entered as a function to be consistent with other PyBaMM parameter sets.
+    """
+
+    return 0 * sto

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

@@ -27,7 +27,7 @@ Positive electrode double-layer capacity [F.m-2],0.2,,
 
 ,,,
 # Thermal parameters,,,
-Positive electrode OCP entropic change [V.K-1],0,,
+Positive electrode OCP entropic change [V.K-1],[function]nco_entropic_change_NULL,,
 ,,,
 # Activation energies,,,
 Reference temperature [K],296.15,23C,

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

@@ -8,9 +8,9 @@ Heat transfer coefficient [W.m-2.K-1],1, dummy value,
 # 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,0.0001,,
+Lower voltage cut-off [V],0,,
+Upper voltage cut-off [V],10,,
+C-rate,0.1,,
 ,,,
 # Initial conditions
 Initial concentration in negative electrode [mol.m-3], 26356,

pybamm/solvers/base_solver.py

@@ -216,16 +216,20 @@ def report(string):
         # Check for heaviside functions in rhs and algebraic and add discontinuity
         # events if these exist.
         # Note: only checks for the case of t < X, t <= X, X < t, or X <= t
-        for symbol in itertools.chain(model.concatenated_rhs.pre_order(),
-                                      model.concatenated_algebraic.pre_order()):
+        for symbol in itertools.chain(
+            model.concatenated_rhs.pre_order(), model.concatenated_algebraic.pre_order()
+        ):
             if isinstance(symbol, pybamm.Heaviside):
                 if symbol.right.id == pybamm.t.id:
                     expr = symbol.left
                 elif symbol.left.id == pybamm.t.id:
                     expr = symbol.right
 
-                model.events.append(pybamm.Event(str(symbol), expr.new_copy(),
-                                                 pybamm.EventType.DISCONTINUITY))
+                model.events.append(
+                    pybamm.Event(
+                        str(symbol), expr.new_copy(), pybamm.EventType.DISCONTINUITY
+                    )
+                )
 
         # Process rhs, algebraic and event expressions
         rhs, rhs_eval, jac_rhs = process(model.concatenated_rhs, "RHS")
@@ -241,7 +245,8 @@ def report(string):
         # discontinuity events are evaluated before the solver is called, so don't need
         # to process them
         discontinuity_events_eval = [
-            event for event in model.events
+            event
+            for event in model.events
             if event.event_type == pybamm.EventType.DISCONTINUITY
         ]
 
@@ -448,11 +453,12 @@ def solve(self, model, t_eval, external_variables=None, inputs=None):
         # make sure they are increasing in time
         discontinuities = sorted(discontinuities)
         pybamm.logger.info(
-            'Discontinuity events found at t = {}'.format(discontinuities)
+            "Discontinuity events found at t = {}".format(discontinuities)
         )
         # remove any identical discontinuities
         discontinuities = [
-            v for i, v in enumerate(discontinuities)
+            v
+            for i, v in enumerate(discontinuities)
             if i == len(discontinuities) - 1
             or discontinuities[i] < discontinuities[i + 1]
         ]
@@ -462,16 +468,18 @@ def solve(self, model, t_eval, external_variables=None, inputs=None):
         start_indices = [0]
         end_indices = []
         for dtime in discontinuities:
-            dindex = np.searchsorted(t_eval, dtime, side='left')
+            dindex = np.searchsorted(t_eval, dtime, side="left")
             end_indices.append(dindex + 1)
             start_indices.append(dindex + 1)
             if t_eval[dindex] == dtime:
                 t_eval[dindex] += sys.float_info.epsilon
                 t_eval = np.insert(t_eval, dindex, dtime - sys.float_info.epsilon)
             else:
-                t_eval = np.insert(t_eval, dindex,
-                                   [dtime - sys.float_info.epsilon,
-                                    dtime + sys.float_info.epsilon])
+                t_eval = np.insert(
+                    t_eval,
+                    dindex,
+                    [dtime - sys.float_info.epsilon, dtime + sys.float_info.epsilon],
+                )
         end_indices.append(len(t_eval))
 
         # integrate separatly over each time segment and accumulate into the solution
@@ -480,16 +488,21 @@ def solve(self, model, t_eval, external_variables=None, inputs=None):
         old_y0 = model.y0
         solution = None
         for start_index, end_index in zip(start_indices, end_indices):
-            pybamm.logger.info("Calling solver for {} < t < {}"
-                               .format(t_eval[start_index], t_eval[end_index - 1]))
+            pybamm.logger.info(
+                "Calling solver for {} < t < {}".format(
+                    t_eval[start_index], t_eval[end_index - 1]
+                )
+            )
             timer.reset()
             if solution is None:
                 solution = self._integrate(
-                    model, t_eval[start_index:end_index], ext_and_inputs)
+                    model, t_eval[start_index:end_index], ext_and_inputs
+                )
                 solution.solve_time = timer.time()
             else:
                 new_solution = self._integrate(
-                    model, t_eval[start_index:end_index], ext_and_inputs)
+                    model, t_eval[start_index:end_index], ext_and_inputs
+                )
                 new_solution.solve_time = timer.time()
                 solution.append(new_solution, start_index=0)
 
@@ -501,14 +514,16 @@ def solve(self, model, t_eval, external_variables=None, inputs=None):
                 y0_guess = solution.y[:, -1]
                 if model.algebraic:
                     model.y0 = self.calculate_consistent_state(
-                        model, t_eval[end_index], y0_guess)
+                        model, t_eval[end_index], y0_guess
+                    )
                 else:
                     model.y0 = y0_guess
 
                 last_state = solution.y[:, -1]
                 if len(model.algebraic) > 0:
                     model.y0 = self.calculate_consistent_state(
-                        model, t_eval[end_index], last_state)
+                        model, t_eval[end_index], last_state
+                    )
                 else:
                     model.y0 = last_state