Merge pull request pybamm-team#994 from pybamm-team/issue-984-butler-…

…volmer-resistance Issue 984 butler volmer resistance
brosaplanella · May 19, 2020 · dbe7b80 · dbe7b80
2 parents 7d99e2a + 3f1629c
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diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -2,6 +2,7 @@
 
 ## Features
 
+-   Added SEI film resistance as an option ([#994](https://github.com/pybamm-team/PyBaMM/pull/994))
 -   Added tab, edge, and surface cooling ([#965](https://github.com/pybamm-team/PyBaMM/pull/965))
 -   Added functionality to solver to automatically discretise a 0D model ([#947](https://github.com/pybamm-team/PyBaMM/pull/947))
 -   Added sensitivity to `CasadiAlgebraicSolver` ([#940](https://github.com/pybamm-team/PyBaMM/pull/940))

diff --git a/docs/source/models/submodels/index.rst b/docs/source/models/submodels/index.rst
@@ -17,4 +17,3 @@ Submodels
     porosity/index
     thermal/index
     tortuosity/index
-    sei/index
diff --git a/...t_order_kinetics/first_order_kinetics.rst → ...models/interface/first_order_kinetics.rst b/...t_order_kinetics/first_order_kinetics.rst → ...models/interface/first_order_kinetics.rst
@@ -3,3 +3,6 @@ First-order Kinetics
 
 .. autoclass:: pybamm.interface.FirstOrderKinetics
     :members:
+
+.. autoclass:: pybamm.interface.InverseFirstOrderKinetics
+    :members:
diff --git a/docs/source/models/submodels/interface/first_order_kinetics/index.rst b/docs/source/models/submodels/interface/first_order_kinetics/index.rst
diff --git a/...odels/submodels/interface/first_order_kinetics/inverse_first_order_kinetics.rst b/...odels/submodels/interface/first_order_kinetics/inverse_first_order_kinetics.rst
diff --git a/docs/source/models/submodels/interface/index.rst b/docs/source/models/submodels/interface/index.rst
@@ -5,7 +5,8 @@ Interface
   :maxdepth: 1
 
   base_interface
-  kinetics/index
-  inverse_kinetics/index
-  first_order_kinetics/index
+  kinetics
+  inverse_kinetics
+  first_order_kinetics
   diffusion_limited
+  sei
diff --git a/...nverse_kinetics/inverse_butler_volmer.rst → .../submodels/interface/inverse_kinetics.rst b/...nverse_kinetics/inverse_butler_volmer.rst → .../submodels/interface/inverse_kinetics.rst
@@ -1,5 +1,5 @@
-Inverse Butler-Volmer
-=====================
+Inverse Kinetics
+================
 
 .. autoclass:: pybamm.interface.inverse_kinetics.InverseButlerVolmer
     :members:
diff --git a/docs/source/models/submodels/interface/inverse_kinetics/index.rst b/docs/source/models/submodels/interface/inverse_kinetics/index.rst
diff --git a/docs/source/models/submodels/interface/kinetics.rst b/docs/source/models/submodels/interface/kinetics.rst
@@ -0,0 +1,17 @@
+Kinetics
+========
+
+.. autoclass:: pybamm.interface.BaseKinetics
+    :members:
+
+.. autoclass:: pybamm.interface.ButlerVolmer
+    :members:
+
+.. autoclass:: pybamm.interface.NoReaction
+    :members:
+
+.. autoclass:: pybamm.interface.ForwardTafel
+    :members:
+
+.. autoclass:: pybamm.interface.BackwardTafel
+    :members:
diff --git a/docs/source/models/submodels/interface/kinetics/base_kinetics.rst b/docs/source/models/submodels/interface/kinetics/base_kinetics.rst
diff --git a/docs/source/models/submodels/interface/kinetics/butler_volmer.rst b/docs/source/models/submodels/interface/kinetics/butler_volmer.rst
diff --git a/docs/source/models/submodels/interface/kinetics/index.rst b/docs/source/models/submodels/interface/kinetics/index.rst
diff --git a/docs/source/models/submodels/interface/kinetics/no_reaction.rst b/docs/source/models/submodels/interface/kinetics/no_reaction.rst
diff --git a/docs/source/models/submodels/interface/kinetics/tafel.rst b/docs/source/models/submodels/interface/kinetics/tafel.rst
diff --git a/docs/source/models/submodels/interface/sei.rst b/docs/source/models/submodels/interface/sei.rst
@@ -0,0 +1,23 @@
+SEI models
+==========
+
+.. autoclass:: pybamm.sei.BaseModel
+    :members:
+
+.. autoclass:: pybamm.sei.ConstantSEI
+    :members:
+
+.. autoclass:: pybamm.sei.ElectronMigrationLimited
+    :members:
+
+.. autoclass:: pybamm.sei.InterstitialDiffusionLimited
+    :members:
+
+.. autoclass:: pybamm.sei.NoSEI
+    :members:
+
+.. autoclass:: pybamm.sei.ReactionLimited
+    :members:
+
+.. autoclass:: pybamm.sei.SolventDiffusionLimited
+    :members:
diff --git a/docs/source/models/submodels/sei/base_sei.rst b/docs/source/models/submodels/sei/base_sei.rst
diff --git a/docs/source/models/submodels/sei/electron_migration_limited.rst b/docs/source/models/submodels/sei/electron_migration_limited.rst
diff --git a/docs/source/models/submodels/sei/index.rst b/docs/source/models/submodels/sei/index.rst
diff --git a/docs/source/models/submodels/sei/interstitial_diffusion_limited.rst b/docs/source/models/submodels/sei/interstitial_diffusion_limited.rst
diff --git a/docs/source/models/submodels/sei/no_sei.rst b/docs/source/models/submodels/sei/no_sei.rst
diff --git a/docs/source/models/submodels/sei/reaction_limited.rst b/docs/source/models/submodels/sei/reaction_limited.rst
diff --git a/docs/source/models/submodels/sei/solvent_diffusion_limited.rst b/docs/source/models/submodels/sei/solvent_diffusion_limited.rst
diff --git a/examples/notebooks/using-submodels.ipynb b/examples/notebooks/using-submodels.ipynb
diff --git a/examples/scripts/calendar_ageing.py b/examples/scripts/calendar_ageing.py
@@ -0,0 +1,57 @@
+import pybamm as pb
+import numpy as np
+
+pb.set_logging_level("INFO")
+
+models = [
+    pb.lithium_ion.SPM({"sei": "reaction limited"}),
+    pb.lithium_ion.SPM(
+        {"sei": "reaction limited", "surface form": "algebraic"}, name="Algebraic SPM",
+    ),
+    pb.lithium_ion.DFN({"sei": "reaction limited"}),
+]
+
+sims = []
+for model in models:
+    parameter_values = model.default_parameter_values
+
+    parameter_values["Current function [A]"] = 0
+
+    sim = pb.Simulation(model, parameter_values=parameter_values)
+
+    solver = pb.CasadiSolver(mode="fast")
+
+    years = 30
+    days = years * 365
+    hours = days * 24
+    minutes = hours * 60
+    seconds = minutes * 60
+
+    t_eval = np.linspace(0, seconds, 100)
+
+    sim.solve(t_eval=t_eval, solver=solver)
+    sims.append(sim)
+pb.dynamic_plot(
+    sims,
+    [
+        "Terminal voltage [V]",
+        "Negative particle surface concentration",
+        "X-averaged negative particle surface concentration",
+        "Electrolyte concentration [mol.m-3]",
+        "Total negative electrode sei thickness [m]",
+        "X-averaged total negative electrode sei thickness [m]",
+        "X-averaged total negative electrode sei thickness",
+        "X-averaged negative electrode sei concentration [mol.m-3]",
+        "Loss of lithium to negative electrode sei [mol]",
+        [
+            "Negative electrode sei interfacial current density [A.m-2]",
+            "Negative electrode interfacial current density [A.m-2]",
+        ],
+        [
+            "X-averaged negative electrode sei interfacial current density [A.m-2]",
+            "X-averaged negative electrode interfacial current density [A.m-2]",
+        ],
+        "Sum of x-averaged negative electrode interfacial current densities",
+        "X-averaged electrolyte concentration",
+    ],
+)
diff --git a/examples/scripts/compare_lead_acid.py b/examples/scripts/compare_lead_acid.py
@@ -54,6 +54,10 @@
     "Porosity",
     "Electrolyte potential [V]",
     "Terminal voltage [V]",
+    "Negative electrode reaction overpotential",
+    "Positive electrode reaction overpotential",
+    "Sum of interfacial current densities",
+    "Sum of electrolyte reaction source terms",
 ]
 plot = pybamm.QuickPlot(solutions, output_variables, linestyles=[":", "--", "-"])
 plot.dynamic_plot()
diff --git a/examples/scripts/create-model.py b/examples/scripts/create-model.py
@@ -67,8 +67,8 @@ def D(cc):
     "SEI growth rate": dLdt,
     "Solvent concentration": c,
     "SEI thickness [m]": L_0_dim * L,
-    "SEI growth rate [m/s]": (D_dim(c_inf_dim) / L_0_dim) * dLdt,
-    "Solvent concentration [mols/m^3]": c_inf_dim * c,
+    "SEI growth rate [m.s-1]": (D_dim(c_inf_dim) / L_0_dim) * dLdt,
+    "Solvent concentration [mol.m-3]": c_inf_dim * c,
 }
 
 "--------------------------------------------------------------------------------------"

diff --git a/examples/scripts/custom_model.py b/examples/scripts/custom_model.py
@@ -34,12 +34,24 @@
 model.submodels["positive interface"] = pybamm.interface.InverseButlerVolmer(
     model.param, "Positive", "lithium-ion main"
 )
+model.submodels[
+    "negative interface current"
+] = pybamm.interface.CurrentForInverseButlerVolmer(
+    model.param, "Negative", "lithium-ion main"
+)
+model.submodels[
+    "positive interface current"
+] = pybamm.interface.CurrentForInverseButlerVolmer(
+    model.param, "Positive", "lithium-ion main"
+)
 model.submodels[
     "electrolyte diffusion"
 ] = pybamm.electrolyte_diffusion.ConstantConcentration(model.param)
 model.submodels[
     "electrolyte conductivity"
 ] = pybamm.electrolyte_conductivity.LeadingOrder(model.param)
+model.submodels["negative sei"] = pybamm.sei.NoSEI(model.param, "Negative")
+model.submodels["positive sei"] = pybamm.sei.NoSEI(model.param, "Positive")
 
 # build model
 model.build_model()

diff --git a/examples/scripts/sei_growth.py b/examples/scripts/sei_growth.py
diff --git a/pybamm/__init__.py b/pybamm/__init__.py
@@ -134,8 +134,8 @@ def version(formatted=False):
     porosity,
     thermal,
     tortuosity,
-    sei,
 )
+from .models.submodels.interface import sei
 
 #
 # Geometry

diff --git a/...meters/lithium-ion/seis/Example/README.md → ...meters/lithium-ion/seis/example/README.md b/...meters/lithium-ion/seis/Example/README.md → ...meters/lithium-ion/seis/example/README.md
diff --git a/...s/lithium-ion/seis/Example/parameters.csv → ...s/lithium-ion/seis/example/parameters.csv b/...s/lithium-ion/seis/Example/parameters.csv → ...s/lithium-ion/seis/example/parameters.csv
@@ -6,7 +6,7 @@ Inner SEI reaction proportion,0.5,,
 Inner SEI partial molar volume [m3.mol-1],3e-6, Guess,
 Outer SEI partial molar volume [m3.mol-1],3e-6, Guess,
 SEI reaction exchange current density [A.m-2],1.5E-7, Guess,
-SEI resistance per unit thickness [Ohm.m-1],1, Ramadass,
+SEI resistivity [Ohm.m],1e6,Guess,check Ramadass
 Outer SEI solvent diffusivity [m2.s-1],2.5E-22, Single paper,
 Bulk solvent concentration [mol.m-3],2.636E3, Ploehn paper,
 Ratio of inner and outer SEI exchange current densities,1, Assume same,