Merge pull request #1731 from pybamm-team/li-metal-spm

Li metal spm

examples/scripts/compare_lithium_ion_half_cell.py

@@ -0,0 +1,26 @@
+#
+# Compare half-cell lithium-ion battery models
+#
+import pybamm
+
+pybamm.set_logging_level("INFO")
+
+# load models
+models = [
+    pybamm.lithium_ion.SPM({"working electrode": "positive"}),
+    pybamm.lithium_ion.SPMe({"working electrode": "positive"}),
+    pybamm.lithium_ion.DFN({"working electrode": "positive"}),
+]
+
+chemistry = pybamm.parameter_sets.Xu2019
+param = pybamm.ParameterValues(chemistry=chemistry)
+
+# create and run simulations
+sims = []
+for model in models:
+    sim = pybamm.Simulation(model, parameter_values=param)
+    sim.solve([0, 3600])
+    sims.append(sim)
+
+# plot
+pybamm.dynamic_plot(sims)

pybamm/models/full_battery_models/base_battery_model.py

@@ -715,7 +715,7 @@ def build_model(self):
 
         # Massive hack for consistent delta_phi = phi_s - phi_e with SPMe
         # This needs to be corrected
-        if isinstance(self, pybamm.lithium_ion.SPMe):
+        if isinstance(self, pybamm.lithium_ion.SPMe) and not self.half_cell:
             for domain in ["Negative", "Positive"]:
                 phi_s = self.variables[domain + " electrode potential"]
                 phi_e = self.variables[domain + " electrolyte potential"]

pybamm/models/full_battery_models/lithium_ion/base_lithium_ion_model.py

@@ -304,3 +304,42 @@ def set_porosity_submodel(self):
             self.submodels["porosity"] = pybamm.porosity.ReactionDriven(
                 self.param, self.options, self.x_average
             )
+
+    def set_li_metal_counter_electrode_submodels(self):
+        if self.options["SEI"] in ["none", "constant"]:
+            self.submodels[
+                "counter electrode potential"
+            ] = pybamm.electrode.ohm.LithiumMetalExplicit(self.param, self.options)
+            self.submodels[
+                "counter electrode interface"
+            ] = pybamm.interface.InverseButlerVolmer(
+                self.param, "Negative", "lithium metal plating", self.options
+            )  # assuming symmetric reaction for now so we can take the inverse
+            self.submodels[
+                "counter electrode interface current"
+            ] = pybamm.interface.CurrentForInverseButlerVolmerLithiumMetal(
+                self.param, "Negative", "lithium metal plating", self.options
+            )
+        else:
+            self.submodels[
+                "counter electrode potential"
+            ] = pybamm.electrode.ohm.LithiumMetalSurfaceForm(self.param, self.options)
+            self.submodels[
+                "counter electrode interface"
+            ] = pybamm.interface.ButlerVolmer(
+                self.param, "Negative", "lithium metal plating", self.options
+            )
+
+        # For half-cell models, remove negative electrode submodels
+        # that are not needed before building
+        # We do this whether the working electrode is 'positive' or 'negative' since
+        # the half-cell models are always defined assuming the positive electrode is
+        # the working electrode
+
+        # This should be done before `self.build_model`, which is the expensive part
+
+        # Models added specifically for the counter electrode have been labelled with
+        # "counter electrode" so as not to be caught by this check
+        self.submodels = {
+            k: v for k, v in self.submodels.items() if not k.startswith("negative")
+        }

pybamm/models/full_battery_models/lithium_ion/dfn.py

@@ -51,18 +51,9 @@ def __init__(self, options=None, name="Doyle-Fuller-Newman model", build=True):
         self.set_sei_submodel()
         self.set_lithium_plating_submodel()
 
-        # For half-cell models, remove negative electrode submodels
-        # that are not needed before building
-        # We do this whether the working electrode is 'positive' or 'negative' since
-        # the half-cell models are always defined assuming the positive electrode is
-        # the working electrode
-        # It's ok to only do this now since `build_model` is the expensive part
-        if self.options["working electrode"] != "both":
-            self.submodels = {
-                k: v for k, v in self.submodels.items() if not k.startswith("negative")
-            }
-        # Models added specifically for the counter electrode should be labelled with
-        # "counter electrode" so as not to be caught by this check
+        if self.half_cell:
+            # This also removes "negative electrode" submodels, so should be done last
+            self.set_li_metal_counter_electrode_submodels()
 
         if build:
             self.build_model()
@@ -87,27 +78,6 @@ def set_interfacial_submodel(self):
             self.param, "Positive", "lithium-ion main", self.options
         )
 
-        # Set the counter-electrode model for the half-cell model
-        # The negative electrode model will be ignored
-        if self.half_cell:
-            if self.options["SEI"] in ["none", "constant"]:
-                self.submodels[
-                    "counter electrode interface"
-                ] = pybamm.interface.InverseButlerVolmer(
-                    self.param, "Negative", "lithium metal plating", self.options
-                )  # assuming symmetric reaction for now so we can take the inverse
-                self.submodels[
-                    "counter electrode interface current"
-                ] = pybamm.interface.CurrentForInverseButlerVolmerLithiumMetal(
-                    self.param, "Negative", "lithium metal plating", self.options
-                )
-            else:
-                self.submodels[
-                    "counter electrode interface"
-                ] = pybamm.interface.ButlerVolmer(
-                    self.param, "Negative", "lithium metal plating", self.options
-                )
-
     def set_particle_submodel(self):
 
         if isinstance(self.options["particle"], str):
@@ -166,20 +136,6 @@ def set_solid_submodel(self):
         self.submodels["negative electrode potential"] = submod_n
         self.submodels["positive electrode potential"] = submod_p
 
-        # Set the counter-electrode model for the half-cell model
-        # The negative electrode model will be ignored
-        if self.half_cell:
-            if self.options["SEI"] in ["none", "constant"]:
-                self.submodels[
-                    "counter electrode potential"
-                ] = pybamm.electrode.ohm.LithiumMetalExplicit(self.param, self.options)
-            else:
-                self.submodels[
-                    "counter electrode potential"
-                ] = pybamm.electrode.ohm.LithiumMetalSurfaceForm(
-                    self.param, self.options
-                )
-
     def set_electrolyte_submodel(self):
 
         surf_form = pybamm.electrolyte_conductivity.surface_potential_form

pybamm/models/full_battery_models/lithium_ion/spm.py

@@ -44,15 +44,18 @@ def __init__(self, options=None, name="Single Particle Model", build=True):
         self.set_interfacial_submodel()
         self.set_other_reaction_submodels_to_zero()
         self.set_particle_submodel()
-        self.set_negative_electrode_submodel()
+        self.set_solid_submodel()
         self.set_electrolyte_submodel()
-        self.set_positive_electrode_submodel()
         self.set_thermal_submodel()
         self.set_current_collector_submodel()
 
         self.set_sei_submodel()
         self.set_lithium_plating_submodel()
 
+        if self.half_cell:
+            # This also removes "negative electrode" submodels, so should be done last
+            self.set_li_metal_counter_electrode_submodels()
+
         if build:
             self.build_model()
 
@@ -63,10 +66,10 @@ def set_convection_submodel(self):
 
         self.submodels[
             "through-cell convection"
-        ] = pybamm.convection.through_cell.NoConvection(self.param)
+        ] = pybamm.convection.through_cell.NoConvection(self.param, self.options)
         self.submodels[
             "transverse convection"
-        ] = pybamm.convection.transverse.NoConvection(self.param)
+        ] = pybamm.convection.transverse.NoConvection(self.param, self.options)
 
     def set_interfacial_submodel(self):
 
@@ -80,12 +83,12 @@ def set_interfacial_submodel(self):
             self.submodels[
                 "negative interface current"
             ] = pybamm.interface.CurrentForInverseButlerVolmer(
-                self.param, "Negative", "lithium-ion main"
+                self.param, "Negative", "lithium-ion main", self.options
             )
             self.submodels[
                 "positive interface current"
             ] = pybamm.interface.CurrentForInverseButlerVolmer(
-                self.param, "Positive", "lithium-ion main"
+                self.param, "Positive", "lithium-ion main", self.options
             )
         else:
             self.submodels["negative interface"] = pybamm.interface.ButlerVolmer(
@@ -123,17 +126,18 @@ def set_particle_submodel(self):
                     self.param, domain, particle_side
                 )
 
-    def set_negative_electrode_submodel(self):
+    def set_solid_submodel(self):
 
         self.submodels[
             "negative electrode potential"
-        ] = pybamm.electrode.ohm.LeadingOrder(self.param, "Negative")
-
-    def set_positive_electrode_submodel(self):
-
+        ] = pybamm.electrode.ohm.LeadingOrder(
+            self.param, "Negative", options=self.options
+        )
         self.submodels[
             "positive electrode potential"
-        ] = pybamm.electrode.ohm.LeadingOrder(self.param, "Positive")
+        ] = pybamm.electrode.ohm.LeadingOrder(
+            self.param, "Positive", options=self.options
+        )
 
     def set_electrolyte_submodel(self):
 
@@ -149,7 +153,9 @@ def set_electrolyte_submodel(self):
         if self.options["surface form"] == "false":
             self.submodels[
                 "leading-order electrolyte conductivity"
-            ] = pybamm.electrolyte_conductivity.LeadingOrder(self.param)
+            ] = pybamm.electrolyte_conductivity.LeadingOrder(
+                self.param, options=self.options
+            )
 
         elif self.options["surface form"] == "differential":
             for domain in ["Negative", "Separator", "Positive"]:
@@ -165,4 +171,4 @@ def set_electrolyte_submodel(self):
 
         self.submodels[
             "electrolyte diffusion"
-        ] = pybamm.electrolyte_diffusion.ConstantConcentration(self.param)
+        ] = pybamm.electrolyte_diffusion.ConstantConcentration(self.param, self.options)