From feb4d4f6cce98ba3d25cc225ffda2746386fc3cf Mon Sep 17 00:00:00 2001
From: Valentin Sulzer <valentinsulzer@hotmail.com>
Date: Tue, 12 May 2020 16:42:06 -0400
Subject: [PATCH 01/15] #984 add sei resistance to inverse BV
---
examples/scripts/compare_lithium_ion.py | 10 +++--
.../lithium-ion/seis/Example/parameters.csv | 2 +-
.../full_battery_models/base_battery_model.py | 1 +
.../lithium_ion/base_lithium_ion_model.py | 5 +++
.../inverse_kinetics/inverse_butler_volmer.py | 10 +++--
pybamm/models/submodels/sei/__init__.py | 1 +
pybamm/models/submodels/sei/constant_sei.py | 38 +++++++++++++++++++
pybamm/parameters/sei_parameters.py | 4 +-
8 files changed, 61 insertions(+), 10 deletions(-)
create mode 100644 pybamm/models/submodels/sei/constant_sei.py
diff --git a/examples/scripts/compare_lithium_ion.py b/examples/scripts/compare_lithium_ion.py
index 42cd480390..921fef776b 100644
--- a/examples/scripts/compare_lithium_ion.py
+++ b/examples/scripts/compare_lithium_ion.py
@@ -16,17 +16,19 @@
pybamm.set_logging_level("INFO")
# load models
-options = {"thermal": "lumped"}
+# options = {"thermal": "lumped"}
models = [
- pybamm.lithium_ion.SPM(options),
- pybamm.lithium_ion.SPMe(options),
- pybamm.lithium_ion.DFN(options),
+ pybamm.lithium_ion.SPM(),
+ pybamm.lithium_ion.SPM({"sei": "constant"}),
+ # pybamm.lithium_ion.SPMe(options),
+ # pybamm.lithium_ion.DFN(options),
]
# load parameter values and process models and geometry
param = models[0].default_parameter_values
param["Current function [A]"] = 1
+param["SEI resistivity [Ohm.m]"] = 1e6
for model in models:
param.process_model(model)
diff --git a/pybamm/input/parameters/lithium-ion/seis/Example/parameters.csv b/pybamm/input/parameters/lithium-ion/seis/Example/parameters.csv
index 8abc7ca2f4..638b8d8aa3 100644
--- a/pybamm/input/parameters/lithium-ion/seis/Example/parameters.csv
+++ b/pybamm/input/parameters/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],1, 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,
diff --git a/pybamm/models/full_battery_models/base_battery_model.py b/pybamm/models/full_battery_models/base_battery_model.py
index 3ca269e8fc..b05be7d5dc 100644
--- a/pybamm/models/full_battery_models/base_battery_model.py
+++ b/pybamm/models/full_battery_models/base_battery_model.py
@@ -53,6 +53,7 @@ class BaseBatteryModel(pybamm.BaseModel):
Set the sei submodel to be used. Options are:
- None: :class:`pybamm.sei.NoSEI` (no SEI growth)
+ - "constant": :class:`pybamm.sei.Constant` (constant SEI thickness)
- "reaction limited": :class:`pybamm.sei.ReactionLimited`
- "solvent diffusion limited": \
:class:`pybamm.sei.SolventDiffusionLimited`
diff --git a/pybamm/models/full_battery_models/lithium_ion/base_lithium_ion_model.py b/pybamm/models/full_battery_models/lithium_ion/base_lithium_ion_model.py
index 7d20682889..7d69befcc8 100644
--- a/pybamm/models/full_battery_models/lithium_ion/base_lithium_ion_model.py
+++ b/pybamm/models/full_battery_models/lithium_ion/base_lithium_ion_model.py
@@ -44,6 +44,11 @@ def set_sei_submodel(self):
self.param, "Negative electrode"
)
+ if self.options["sei"] == "constant":
+ self.submodels["negative sei"] = pybamm.sei.ConstantSEI(
+ self.param, "Negative electrode"
+ )
+
elif self.options["sei"] == "reaction limited":
self.submodels["negative sei"] = pybamm.sei.ReactionLimited(
self.param, "Negative electrode"
diff --git a/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py b/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
index 4e305418d0..56cf1205cb 100644
--- a/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
+++ b/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
@@ -48,7 +48,9 @@ def get_coupled_variables(self, variables):
else:
T = variables[self.domain + " electrode temperature"]
- eta_r = self._get_overpotential(j, j0, ne, T)
+ L_sei = variables["Total " + self.domain.lower() + " electrode sei thickness"]
+
+ eta_r = self._get_overpotential(j, j0, ne, T, L_sei)
delta_phi = eta_r + ocp
variables.update(self._get_standard_interfacial_current_variables(j))
@@ -79,5 +81,7 @@ def get_coupled_variables(self, variables):
return variables
- def _get_overpotential(self, j, j0, ne, T):
- return (2 * (1 + self.param.Theta * T) / ne) * pybamm.arcsinh(j / (2 * j0))
+ def _get_overpotential(self, j, j0, ne, T, L_sei):
+ return (2 * (1 + self.param.Theta * T) / ne) * pybamm.arcsinh(
+ j / (2 * j0)
+ ) + j * L_sei * pybamm.sei_parameters.R_sei
diff --git a/pybamm/models/submodels/sei/__init__.py b/pybamm/models/submodels/sei/__init__.py
index b4162f63d5..c6c0c29db4 100644
--- a/pybamm/models/submodels/sei/__init__.py
+++ b/pybamm/models/submodels/sei/__init__.py
@@ -1,5 +1,6 @@
from .base_sei import BaseModel
from .no_sei import NoSEI
+from .constant_sei import ConstantSEI
from .reaction_limited import ReactionLimited
from .solvent_diffusion_limited import SolventDiffusionLimited
from .electron_migration_limited import ElectronMigrationLimited
diff --git a/pybamm/models/submodels/sei/constant_sei.py b/pybamm/models/submodels/sei/constant_sei.py
new file mode 100644
index 0000000000..43b450bee0
--- /dev/null
+++ b/pybamm/models/submodels/sei/constant_sei.py
@@ -0,0 +1,38 @@
+#
+# Class for constant SEI thickness
+#
+import pybamm
+from .base_sei import BaseModel
+
+
+class ConstantSEI(BaseModel):
+ """Base class for no SEI.
+
+ Parameters
+ ----------
+ param : parameter class
+ The parameters to use for this submodel
+ domain : str
+ The domain of the model either 'Negative' or 'Positive'
+
+ **Extends:** :class:`pybamm.particle.BaseParticle`
+ """
+
+ def __init__(self, param, domain):
+ super().__init__(param, domain)
+
+ def get_fundamental_variables(self):
+ param = self.param
+
+ # Constant thicknesses
+ L_inner = pybamm.sei_parameters.L_inner_0
+ L_outer = pybamm.sei_parameters.L_outer_0
+ variables = self._get_standard_thickness_variables(L_inner, L_outer)
+
+ # Reactions
+ zero = pybamm.FullBroadcast(
+ pybamm.Scalar(0), self.domain.lower(), "current collector"
+ )
+ variables.update(self._get_standard_reaction_variables(zero, zero))
+
+ return variables
diff --git a/pybamm/parameters/sei_parameters.py b/pybamm/parameters/sei_parameters.py
index 6b2931b02e..ef1106f7b0 100644
--- a/pybamm/parameters/sei_parameters.py
+++ b/pybamm/parameters/sei_parameters.py
@@ -12,7 +12,7 @@
m_sei_dimensional = pybamm.Parameter("SEI reaction exchange current density [A.m-2]")
-R_sei_dimensional = pybamm.Parameter("SEI resistance per unit thickness [Ohm.m-1]")
+R_sei_dimensional = pybamm.Parameter("SEI resistivity [Ohm.m]")
D_sol_dimensional = pybamm.Parameter("Outer SEI solvent diffusivity [m2.s-1]")
c_sol_dimensional = pybamm.Parameter("Bulk solvent concentration [mol.m-3]")
@@ -72,7 +72,7 @@
U_inner_electron = F * U_inner_dimensional / R / T_ref
-R_sei = F * i_typ * R_sei_dimensional * L_sei_0_dim / (a_n * L_x)
+R_sei = F * i_typ * R_sei_dimensional * L_sei_0_dim / (a_n * L_x) / R / T_ref
v_bar = V_bar_outer_dimensional / V_bar_inner_dimensional
From 4643732110f0509deaef7aa9bc4b5930d91ca2b3 Mon Sep 17 00:00:00 2001
From: Valentin Sulzer <valentinsulzer@hotmail.com>
Date: Wed, 13 May 2020 16:23:07 -0400
Subject: [PATCH 02/15] #984 reformat SEI to add film resistance and loss of
lithium
---
docs/source/models/submodels/index.rst | 1 -
.../models/submodels/interface/index.rst | 1 +
.../{ => interface}/sei/base_sei.rst | 0
.../sei/electron_migration_limited.rst | 0
.../submodels/{ => interface}/sei/index.rst | 0
.../sei/interstitial_diffusion_limited.rst | 0
.../submodels/{ => interface}/sei/no_sei.rst | 0
.../{ => interface}/sei/reaction_limited.rst | 0
.../sei/solvent_diffusion_limited.rst | 0
examples/scripts/compare_lithium_ion.py | 10 +-
examples/scripts/sei_growth.py | 43 +++++---
pybamm/__init__.py | 2 +-
.../full_battery_models/base_battery_model.py | 93 +++++++++++++---
.../lithium_ion/base_lithium_ion_model.py | 18 ++-
.../full_battery_models/lithium_ion/dfn.py | 4 +-
.../full_battery_models/lithium_ion/spm.py | 16 ++-
.../full_battery_models/lithium_ion/spme.py | 4 +-
.../submodels/interface/base_interface.py | 12 +-
.../interface/inverse_kinetics/__init__.py | 2 +-
.../inverse_kinetics/inverse_butler_volmer.py | 76 ++++++++++---
.../interface/kinetics/base_kinetics.py | 95 +++++++++++++++-
.../interface/kinetics/butler_volmer.py | 7 +-
.../submodels/interface/kinetics/tafel.py | 7 +-
.../submodels/{ => interface}/sei/__init__.py | 0
.../submodels/{ => interface}/sei/base_sei.py | 104 ++++++++----------
.../submodels/interface/sei/constant_sei.py | 52 +++++++++
.../sei/electron_migration_limited.py | 36 +++---
.../sei/interstitial_diffusion_limited.py | 38 ++++---
.../submodels/{ => interface}/sei/no_sei.py | 17 ++-
.../interface/sei/reaction_limited.py | 94 ++++++++++++++++
.../sei/solvent_diffusion_limited.py | 34 +++---
pybamm/models/submodels/sei/constant_sei.py | 38 -------
.../models/submodels/sei/reaction_limited.py | 75 -------------
.../standard_parameters_lithium_ion.py | 2 -
.../test_base_battery_model.py | 15 ++-
.../test_base_lead_acid_model.py | 4 +-
36 files changed, 594 insertions(+), 306 deletions(-)
rename docs/source/models/submodels/{ => interface}/sei/base_sei.rst (100%)
rename docs/source/models/submodels/{ => interface}/sei/electron_migration_limited.rst (100%)
rename docs/source/models/submodels/{ => interface}/sei/index.rst (100%)
rename docs/source/models/submodels/{ => interface}/sei/interstitial_diffusion_limited.rst (100%)
rename docs/source/models/submodels/{ => interface}/sei/no_sei.rst (100%)
rename docs/source/models/submodels/{ => interface}/sei/reaction_limited.rst (100%)
rename docs/source/models/submodels/{ => interface}/sei/solvent_diffusion_limited.rst (100%)
rename pybamm/models/submodels/{ => interface}/sei/__init__.py (100%)
rename pybamm/models/submodels/{ => interface}/sei/base_sei.py (59%)
create mode 100644 pybamm/models/submodels/interface/sei/constant_sei.py
rename pybamm/models/submodels/{ => interface}/sei/electron_migration_limited.py (57%)
rename pybamm/models/submodels/{ => interface}/sei/interstitial_diffusion_limited.py (55%)
rename pybamm/models/submodels/{ => interface}/sei/no_sei.py (52%)
create mode 100644 pybamm/models/submodels/interface/sei/reaction_limited.py
rename pybamm/models/submodels/{ => interface}/sei/solvent_diffusion_limited.py (57%)
delete mode 100644 pybamm/models/submodels/sei/constant_sei.py
delete mode 100644 pybamm/models/submodels/sei/reaction_limited.py
diff --git a/docs/source/models/submodels/index.rst b/docs/source/models/submodels/index.rst
index 28281889c5..a72bfa243f 100644
--- 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/docs/source/models/submodels/interface/index.rst b/docs/source/models/submodels/interface/index.rst
index 21585d2841..c2fb250218 100644
--- a/docs/source/models/submodels/interface/index.rst
+++ b/docs/source/models/submodels/interface/index.rst
@@ -9,3 +9,4 @@ Interface
inverse_kinetics/index
first_order_kinetics/index
diffusion_limited
+ sei/index
diff --git a/docs/source/models/submodels/sei/base_sei.rst b/docs/source/models/submodels/interface/sei/base_sei.rst
similarity index 100%
rename from docs/source/models/submodels/sei/base_sei.rst
rename to docs/source/models/submodels/interface/sei/base_sei.rst
diff --git a/docs/source/models/submodels/sei/electron_migration_limited.rst b/docs/source/models/submodels/interface/sei/electron_migration_limited.rst
similarity index 100%
rename from docs/source/models/submodels/sei/electron_migration_limited.rst
rename to docs/source/models/submodels/interface/sei/electron_migration_limited.rst
diff --git a/docs/source/models/submodels/sei/index.rst b/docs/source/models/submodels/interface/sei/index.rst
similarity index 100%
rename from docs/source/models/submodels/sei/index.rst
rename to docs/source/models/submodels/interface/sei/index.rst
diff --git a/docs/source/models/submodels/sei/interstitial_diffusion_limited.rst b/docs/source/models/submodels/interface/sei/interstitial_diffusion_limited.rst
similarity index 100%
rename from docs/source/models/submodels/sei/interstitial_diffusion_limited.rst
rename to docs/source/models/submodels/interface/sei/interstitial_diffusion_limited.rst
diff --git a/docs/source/models/submodels/sei/no_sei.rst b/docs/source/models/submodels/interface/sei/no_sei.rst
similarity index 100%
rename from docs/source/models/submodels/sei/no_sei.rst
rename to docs/source/models/submodels/interface/sei/no_sei.rst
diff --git a/docs/source/models/submodels/sei/reaction_limited.rst b/docs/source/models/submodels/interface/sei/reaction_limited.rst
similarity index 100%
rename from docs/source/models/submodels/sei/reaction_limited.rst
rename to docs/source/models/submodels/interface/sei/reaction_limited.rst
diff --git a/docs/source/models/submodels/sei/solvent_diffusion_limited.rst b/docs/source/models/submodels/interface/sei/solvent_diffusion_limited.rst
similarity index 100%
rename from docs/source/models/submodels/sei/solvent_diffusion_limited.rst
rename to docs/source/models/submodels/interface/sei/solvent_diffusion_limited.rst
diff --git a/examples/scripts/compare_lithium_ion.py b/examples/scripts/compare_lithium_ion.py
index 921fef776b..c92dfe2aa5 100644
--- a/examples/scripts/compare_lithium_ion.py
+++ b/examples/scripts/compare_lithium_ion.py
@@ -18,17 +18,19 @@
# load models
# options = {"thermal": "lumped"}
models = [
- pybamm.lithium_ion.SPM(),
- pybamm.lithium_ion.SPM({"sei": "constant"}),
+ # pybamm.lithium_ion.SPMe(),
+ # pybamm.lithium_ion.SPMe({"sei": "constant"}),
# pybamm.lithium_ion.SPMe(options),
- # pybamm.lithium_ion.DFN(options),
+ pybamm.lithium_ion.DFN(),
+ pybamm.lithium_ion.DFN({"sei": "constant", "sei film resistance": "average"}),
+ pybamm.lithium_ion.DFN({"sei": "constant", "sei film resistance": "distributed"}),
]
# load parameter values and process models and geometry
param = models[0].default_parameter_values
param["Current function [A]"] = 1
-param["SEI resistivity [Ohm.m]"] = 1e6
+param["SEI resistivity [Ohm.m]"] = 1
for model in models:
param.process_model(model)
diff --git a/examples/scripts/sei_growth.py b/examples/scripts/sei_growth.py
index 5fa549b115..c7c9c4f088 100644
--- a/examples/scripts/sei_growth.py
+++ b/examples/scripts/sei_growth.py
@@ -1,29 +1,37 @@
import pybamm as pb
import numpy as np
-pb.set_logging_level("INFO")
+pb.set_logging_level("DEBUG")
-options = {"sei": "reaction limited"}
-model = pb.lithium_ion.DFN(options)
+options = {
+ "sei": "reaction limited",
+ "sei film resistance": None,
+ # "surface form": "algebraic",
+}
+models = [pb.lithium_ion.SPM(options), pb.lithium_ion.DFN(options)]
-parameter_values = model.default_parameter_values
+sims = []
+for model in models:
+ parameter_values = model.default_parameter_values
-parameter_values["Current function [A]"] = 0
+ parameter_values["Current function [A]"] = 0
-sim = pb.Simulation(model, parameter_values=parameter_values)
+ sim = pb.Simulation(model, parameter_values=parameter_values)
-solver = pb.CasadiSolver(mode="fast")
+ solver = pb.CasadiSolver(mode="fast")
-years = 3
-days = years * 365
-hours = days * 24
-minutes = hours * 60
-seconds = minutes * 60
+ years = 3
+ days = years * 365
+ hours = days * 24
+ minutes = hours * 60
+ seconds = minutes * 60
-t_eval = np.linspace(0, seconds, 100)
+ t_eval = np.linspace(0, seconds, 100)
-sim.solve(t_eval=t_eval, solver=solver)
-sim.plot(
+ sim.solve(t_eval=t_eval, solver=solver)
+ sims.append(sim)
+pb.dynamic_plot(
+ sims,
[
"Terminal voltage [V]",
"Negative particle surface concentration",
@@ -42,5 +50,8 @@
"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",
+ "Sum of negative electrode interfacial current densities",
+ "X-averaged electrolyte concentration",
+ ],
)
diff --git a/pybamm/__init__.py b/pybamm/__init__.py
index 44033ec2df..c8459eaf33 100644
--- 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/pybamm/models/full_battery_models/base_battery_model.py b/pybamm/models/full_battery_models/base_battery_model.py
index b05be7d5dc..cba817bba0 100644
--- a/pybamm/models/full_battery_models/base_battery_model.py
+++ b/pybamm/models/full_battery_models/base_battery_model.py
@@ -55,12 +55,38 @@ class BaseBatteryModel(pybamm.BaseModel):
- None: :class:`pybamm.sei.NoSEI` (no SEI growth)
- "constant": :class:`pybamm.sei.Constant` (constant SEI thickness)
- "reaction limited": :class:`pybamm.sei.ReactionLimited`
- - "solvent diffusion limited": \
+ - "solvent-diffusion limited": \
:class:`pybamm.sei.SolventDiffusionLimited`
- - "electron migration limited": \
+ - "electron-migration limited": \
:class:`pybamm.sei.ElectronMigrationLimited`
- - "lithium interstitial diffusion limited": \
+ - "interstitial-diffusion limited": \
:class:`pybamm.sei.InterstitialDiffusionLimited`
+ * "sei film resistance" : str
+ Set the submodel for additional term in the overpotential due to SEI.
+ The default value is "None" if the "sei" option is "None", and
+ "distributed" otherwise. This is because the "distributed" model is more
+ complex than the model with no additional resistance, which adds
+ unnecessary complexity if there is no SEI in the first place
+
+ - None: no additional resistance\
+
+ .. math::
+ \\eta_r = \\frac{F}{RT} * (\\phi_s - \\phi_e - U)
+
+ - "distributed": properly included additional resistance term\
+
+ .. math::
+ \\eta_r = \\frac{F}{RT}
+ * (\\phi_s - \\phi_e - U - R_{sei} * L_{sei} * j)
+
+ - "average": constant additional resistance term (approximation to the \
+ true model). This model can give similar results to the \
+ "distributed" case without needing to make j an algebraic state\
+
+ .. math::
+ \\eta_r = \\frac{F}{RT}
+ * (\\phi_s - \\phi_e - U - R_{sei} * L_{sei} * \\frac{I}{aL})
+
**Extends:** :class:`pybamm.BaseModel`
"""
@@ -158,18 +184,28 @@ def options(self, extra_options):
"external submodels": [],
"sei": None,
}
+ # Change the default for SEI film resistance based on which sei option is
+ # provided
+ extra_options = extra_options or {}
+ sei_option = extra_options.get("sei", None) # return None if option not given
+ if sei_option is None:
+ default_options["sei film resistance"] = None
+ else:
+ default_options["sei film resistance"] = "distributed"
+ # The "sei film resistance" option will still be overridden by extra_options if
+ # provided
+
options = pybamm.FuzzyDict(default_options)
# any extra options overwrite the default options
- if extra_options is not None:
- for name, opt in extra_options.items():
- if name in default_options:
- options[name] = opt
- else:
- raise pybamm.OptionError(
- "Option '{}' not recognised. Best matches are {}".format(
- name, options.get_best_matches(name)
- )
+ for name, opt in extra_options.items():
+ if name in default_options:
+ options[name] = opt
+ else:
+ raise pybamm.OptionError(
+ "Option '{}' not recognised. Best matches are {}".format(
+ name, options.get_best_matches(name)
)
+ )
# Options that are incompatible with models
if isinstance(self, pybamm.lithium_ion.BaseModel):
@@ -183,6 +219,8 @@ def options(self, extra_options):
"Lead-acid models can only have thermal "
"effects if dimensionality is 0."
)
+ if options["sei"] is not None or options["sei film resistance"] is not None:
+ raise pybamm.OptionError("Lead-acid models cannot have SEI formation")
# Some standard checks to make sure options are compatible
if not (
@@ -235,6 +273,26 @@ def options(self, extra_options):
raise pybamm.OptionError(
"Unknown thermal model '{}'".format(options["thermal"])
)
+ if options["sei"] not in [
+ None,
+ "constant",
+ "reaction limited",
+ "solvent-diffusion limited",
+ "electron-migration limited",
+ "interstitial-diffusion limited",
+ ]:
+ raise pybamm.OptionError("Unknown sei model '{}'".format(options["sei"]))
+ if options["sei film resistance"] not in [
+ None,
+ "distributed",
+ "average",
+ ]:
+ raise pybamm.OptionError(
+ "Unknown sei film resistance model '{}'".format(
+ options["sei film resistance"]
+ )
+ )
+
if options["dimensionality"] == 0:
if options["current collector"] not in [
"uniform",
@@ -253,8 +311,8 @@ def options(self, extra_options):
if options["thermal"] == "x-lumped" and options["dimensionality"] == 1:
warnings.warn(
- "1+1D Thermal models are only valid if both tabs are"
- + "placed at the top of the cell."
+ "1+1D Thermal models are only valid if both tabs are "
+ "placed at the top of the cell."
)
self._options = options
@@ -295,6 +353,9 @@ def set_standard_output_variables(self):
)
# Initialize "total reaction" variables
+ # These will get populated by the "get_coupled_variables" methods, and then used
+ # later by "set_rhs" or "set_algebraic", which ensures that we always have
+ # added all the necessary variables by the time the sum is used
self.variables.update(
{
"Sum of electrolyte reaction source terms": 0,
@@ -368,10 +429,10 @@ def build_coupled_variables(self):
if len(submodels) == 1 or count == 100:
# no more submodels to try
raise pybamm.ModelError(
- "Submodel '{}' requires the variable {}, ".format(
+ "Missing variable for submodel '{}': {}.\n".format(
submodel_name, key
)
- + "but it cannot be found. Check the selected "
+ + "Check the selected "
"submodels provide all of the required variables."
)
else:
diff --git a/pybamm/models/full_battery_models/lithium_ion/base_lithium_ion_model.py b/pybamm/models/full_battery_models/lithium_ion/base_lithium_ion_model.py
index 7d69befcc8..5176da2174 100644
--- a/pybamm/models/full_battery_models/lithium_ion/base_lithium_ion_model.py
+++ b/pybamm/models/full_battery_models/lithium_ion/base_lithium_ion_model.py
@@ -40,39 +40,35 @@ def set_sei_submodel(self):
# negative electrode SEI
if self.options["sei"] is None:
- self.submodels["negative sei"] = pybamm.sei.NoSEI(
- self.param, "Negative electrode"
- )
+ self.submodels["negative sei"] = pybamm.sei.NoSEI(self.param, "Negative")
if self.options["sei"] == "constant":
self.submodels["negative sei"] = pybamm.sei.ConstantSEI(
- self.param, "Negative electrode"
+ self.param, "Negative"
)
elif self.options["sei"] == "reaction limited":
self.submodels["negative sei"] = pybamm.sei.ReactionLimited(
- self.param, "Negative electrode"
+ self.param, "Negative"
)
elif self.options["sei"] == "solvent-diffusion limited":
self.submodels["negative sei"] = pybamm.sei.SolventDiffusionLimited(
- self.param, "Negative electrode"
+ self.param, "Negative"
)
elif self.options["sei"] == "electron-migration limited":
self.submodels["negative sei"] = pybamm.sei.ElectronMigrationLimited(
- self.param, "Negative electrode"
+ self.param, "Negative"
)
elif self.options["sei"] == "interstitial-diffusion limited":
self.submodels["negative sei"] = pybamm.sei.InterstitialDiffusionLimited(
- self.param, "Negative electrode"
+ self.param, "Negative"
)
# positive electrode
- self.submodels["positive sei"] = pybamm.sei.NoSEI(
- self.param, "Positive electrode"
- )
+ self.submodels["positive sei"] = pybamm.sei.NoSEI(self.param, "Positive")
def set_other_reaction_submodels_to_zero(self):
self.submodels["negative oxygen interface"] = pybamm.interface.NoReaction(
diff --git a/pybamm/models/full_battery_models/lithium_ion/dfn.py b/pybamm/models/full_battery_models/lithium_ion/dfn.py
index 21245ddd20..85407406ed 100644
--- a/pybamm/models/full_battery_models/lithium_ion/dfn.py
+++ b/pybamm/models/full_battery_models/lithium_ion/dfn.py
@@ -67,10 +67,10 @@ def set_convection_submodel(self):
def set_interfacial_submodel(self):
self.submodels["negative interface"] = pybamm.interface.ButlerVolmer(
- self.param, "Negative", "lithium-ion main"
+ self.param, "Negative", "lithium-ion main", self.options
)
self.submodels["positive interface"] = pybamm.interface.ButlerVolmer(
- self.param, "Positive", "lithium-ion main"
+ self.param, "Positive", "lithium-ion main", self.options
)
def set_particle_submodel(self):
diff --git a/pybamm/models/full_battery_models/lithium_ion/spm.py b/pybamm/models/full_battery_models/lithium_ion/spm.py
index 8431f602c5..99178a32cf 100644
--- a/pybamm/models/full_battery_models/lithium_ion/spm.py
+++ b/pybamm/models/full_battery_models/lithium_ion/spm.py
@@ -68,18 +68,28 @@ def set_interfacial_submodel(self):
if self.options["surface form"] is False:
self.submodels["negative interface"] = pybamm.interface.InverseButlerVolmer(
- self.param, "Negative", "lithium-ion main"
+ self.param, "Negative", "lithium-ion main", self.options
)
self.submodels["positive interface"] = pybamm.interface.InverseButlerVolmer(
+ self.param, "Positive", "lithium-ion main", self.options
+ )
+ self.submodels[
+ "negative interface current"
+ ] = pybamm.interface.CurrentForInverseButlerVolmer(
+ self.param, "Negative", "lithium-ion main"
+ )
+ self.submodels[
+ "positive interface current"
+ ] = pybamm.interface.CurrentForInverseButlerVolmer(
self.param, "Positive", "lithium-ion main"
)
else:
self.submodels["negative interface"] = pybamm.interface.ButlerVolmer(
- self.param, "Negative", "lithium-ion main"
+ self.param, "Negative", "lithium-ion main", self.options
)
self.submodels["positive interface"] = pybamm.interface.ButlerVolmer(
- self.param, "Positive", "lithium-ion main"
+ self.param, "Positive", "lithium-ion main", self.options
)
def set_particle_submodel(self):
diff --git a/pybamm/models/full_battery_models/lithium_ion/spme.py b/pybamm/models/full_battery_models/lithium_ion/spme.py
index 04e754e111..e033499988 100644
--- a/pybamm/models/full_battery_models/lithium_ion/spme.py
+++ b/pybamm/models/full_battery_models/lithium_ion/spme.py
@@ -78,10 +78,10 @@ def set_tortuosity_submodels(self):
def set_interfacial_submodel(self):
self.submodels["negative interface"] = pybamm.interface.InverseButlerVolmer(
- self.param, "Negative", "lithium-ion main"
+ self.param, "Negative", "lithium-ion main", self.options
)
self.submodels["positive interface"] = pybamm.interface.InverseButlerVolmer(
- self.param, "Positive", "lithium-ion main"
+ self.param, "Positive", "lithium-ion main", self.options
)
def set_particle_submodel(self):
diff --git a/pybamm/models/submodels/interface/base_interface.py b/pybamm/models/submodels/interface/base_interface.py
index 3f5aa35d9c..a6ed54dbd5 100644
--- a/pybamm/models/submodels/interface/base_interface.py
+++ b/pybamm/models/submodels/interface/base_interface.py
@@ -23,7 +23,6 @@ class BaseInterface(pybamm.BaseSubModel):
def __init__(self, param, domain, reaction):
super().__init__(param, domain)
- self.reaction = reaction
if reaction == "lithium-ion main":
self.reaction_name = "" # empty reaction name for the main reaction
elif reaction == "lead-acid main":
@@ -32,6 +31,11 @@ def __init__(self, param, domain, reaction):
self.reaction_name = " oxygen"
elif reaction == "lithium-ion oxygen":
self.reaction_name = " oxygen"
+ elif reaction == "sei":
+ self.reaction_name = " sei"
+ else:
+ raise ValueError("Reaction name '{}' not recognized".format(reaction))
+ self.reaction = reaction
def _get_exchange_current_density(self, variables):
"""
@@ -168,7 +172,9 @@ def _get_number_of_electrons_in_reaction(self):
def _get_electrolyte_reaction_signed_stoichiometry(self):
"Returns the number of electrons in the reaction"
- if self.reaction == "lithium-ion main":
+ if self.reaction in ["lithium-ion main", "sei"]:
+ # Both the main reaction current contribute to the electrolyte reaction
+ # current
return pybamm.Scalar(1), pybamm.Scalar(1)
elif self.reaction == "lead-acid main":
return self.param.s_plus_n_S, self.param.s_plus_p_S
@@ -281,7 +287,7 @@ def _get_standard_total_interfacial_current_variables(self, j_tot_av):
def _get_standard_whole_cell_interfacial_current_variables(self, variables):
"""
- Get variables associated with interfacial current over theh whole cell domain
+ Get variables associated with interfacial current over the whole cell domain
This function also automatically increments the "total source term" variables
"""
i_typ = self.param.i_typ
diff --git a/pybamm/models/submodels/interface/inverse_kinetics/__init__.py b/pybamm/models/submodels/interface/inverse_kinetics/__init__.py
index 1283fde47b..3c81882350 100644
--- a/pybamm/models/submodels/interface/inverse_kinetics/__init__.py
+++ b/pybamm/models/submodels/interface/inverse_kinetics/__init__.py
@@ -1 +1 @@
-from .inverse_butler_volmer import InverseButlerVolmer
+from .inverse_butler_volmer import InverseButlerVolmer, CurrentForInverseButlerVolmer
diff --git a/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py b/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
index 56cf1205cb..da59aa9740 100644
--- a/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
+++ b/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
@@ -7,7 +7,7 @@
class InverseButlerVolmer(BaseInterface):
"""
- A base submodel that implements the inverted form of the Butler-Volmer relation to
+ A submodel that implements the inverted form of the Butler-Volmer relation to
solve for the reaction overpotential.
Parameters
@@ -19,13 +19,19 @@ class InverseButlerVolmer(BaseInterface):
in which case j.domain is used.
reaction : str
The name of the reaction being implemented
+ options: dict
+ A dictionary of options to be passed to the model. In this case "sei film
+ resistance" is the important option. See :class:`pybamm.BaseBatteryModel`
**Extends:** :class:`pybamm.interface.kinetics.ButlerVolmer`
"""
- def __init__(self, param, domain, reaction):
+ def __init__(self, param, domain, reaction, options=None):
super().__init__(param, domain, reaction)
+ if options is None:
+ options = {"sei film resistance": None}
+ self.options = options
def get_coupled_variables(self, variables):
ocp, dUdT = self._get_open_circuit_potential(variables)
@@ -34,9 +40,11 @@ def get_coupled_variables(self, variables):
j_tot_av = self._get_average_total_interfacial_current_density(variables)
# Broadcast to match j0's domain
if j0.domain in [[], ["current collector"]]:
- j = j_tot_av
+ j_tot = j_tot_av
else:
- j = pybamm.PrimaryBroadcast(j_tot_av, [self.domain.lower() + " electrode"])
+ j_tot = pybamm.PrimaryBroadcast(
+ j_tot_av, [self.domain.lower() + " electrode"]
+ )
if self.domain == "Negative":
ne = self.param.ne_n
@@ -48,12 +56,21 @@ def get_coupled_variables(self, variables):
else:
T = variables[self.domain + " electrode temperature"]
- L_sei = variables["Total " + self.domain.lower() + " electrode sei thickness"]
+ # eta_r is the overpotential from inverting Butler-Volmer, regardless of any
+ # additional SEI resistance. What changes is how delta_phi is defined in terms
+ # of eta_r
+ eta_r = self._get_overpotential(j_tot, j0, ne, T)
- eta_r = self._get_overpotential(j, j0, ne, T, L_sei)
- delta_phi = eta_r + ocp
+ # With SEI resistance (distributed and averaged have the same effect here)
+ if self.options["sei film resistance"] is not None:
+ L_sei = variables[
+ "Total " + self.domain.lower() + " electrode sei thickness"
+ ]
+ delta_phi = eta_r + ocp + j_tot * L_sei * pybamm.sei_parameters.R_sei
+ # Without SEI resistance
+ else:
+ delta_phi = eta_r + ocp
- variables.update(self._get_standard_interfacial_current_variables(j))
variables.update(
self._get_standard_total_interfacial_current_variables(j_tot_av)
)
@@ -64,6 +81,44 @@ def get_coupled_variables(self, variables):
)
variables.update(self._get_standard_ocp_variables(ocp, dUdT))
+ return variables
+
+ def _get_overpotential(self, j, j0, ne, T):
+ return (2 * (1 + self.param.Theta * T) / ne) * pybamm.arcsinh(j / (2 * j0))
+
+
+class CurrentForInverseButlerVolmer(BaseInterface):
+ """
+ Submodel for the current associated with the inverse Butler-Volmer formulation.
+
+ Parameters
+ ----------
+ param
+ Model parameters
+ domain : iter of str, optional
+ The domain(s) in which to compute the interfacial current. Default is None,
+ in which case j.domain is used.
+ reaction : str
+ The name of the reaction being implemented
+
+ **Extends:** :class:`pybamm.interface.kinetics.ButlerVolmer`
+
+ """
+
+ def __init__(self, param, domain, reaction):
+ super().__init__(param, domain, reaction)
+
+ def get_coupled_variables(self, variables):
+ j_tot = variables[
+ "X-averaged "
+ + self.domain.lower()
+ + " electrode total interfacial current density"
+ ]
+ j_sei = variables[self.domain + " electrode sei interfacial current density"]
+ j = j_tot - j_sei
+
+ variables.update(self._get_standard_interfacial_current_variables(j))
+
if (
"Negative electrode" + self.reaction_name + " interfacial current density"
in variables
@@ -80,8 +135,3 @@ def get_coupled_variables(self, variables):
)
return variables
-
- def _get_overpotential(self, j, j0, ne, T, L_sei):
- return (2 * (1 + self.param.Theta * T) / ne) * pybamm.arcsinh(
- j / (2 * j0)
- ) + j * L_sei * pybamm.sei_parameters.R_sei
diff --git a/pybamm/models/submodels/interface/kinetics/base_kinetics.py b/pybamm/models/submodels/interface/kinetics/base_kinetics.py
index 6a32b646fe..1f67c28629 100644
--- a/pybamm/models/submodels/interface/kinetics/base_kinetics.py
+++ b/pybamm/models/submodels/interface/kinetics/base_kinetics.py
@@ -18,12 +18,34 @@ class BaseKinetics(BaseInterface):
The domain to implement the model, either: 'Negative' or 'Positive'.
reaction : str
The name of the reaction being implemented
+ options: dict
+ A dictionary of options to be passed to the model. In this case "sei film
+ resistance" is the important option. See :class:`pybamm.BaseBatteryModel`
**Extends:** :class:`pybamm.interface.BaseInterface`
"""
- def __init__(self, param, domain, reaction):
+ def __init__(self, param, domain, reaction, options=None):
super().__init__(param, domain, reaction)
+ if options is None:
+ options = {"sei film resistance": None}
+ self.options = options
+
+ def get_fundamental_variables(self):
+ if (
+ self.options["sei film resistance"] == "distributed"
+ and "main" in self.reaction
+ ):
+ j = pybamm.Variable(
+ self.domain + " electrode interfacial current density",
+ domain=self.domain.lower() + " electrode",
+ auxiliary_domains={"secondary": "current collector"},
+ )
+
+ variables = self._get_standard_interfacial_current_variables(j)
+ return variables
+ else:
+ return {}
def get_coupled_variables(self, variables):
# Calculate delta_phi from phi_s and phi_e if it isn't already known
@@ -39,6 +61,24 @@ def get_coupled_variables(self, variables):
# Get open-circuit potential variables and reaction overpotential
ocp, dUdT = self._get_open_circuit_potential(variables)
eta_r = delta_phi - ocp
+
+ # Get average interfacial current density
+ j_tot_av = self._get_average_total_interfacial_current_density(variables)
+ # j = j_tot_av + (j - pybamm.x_average(j)) # enforce true average
+
+ # Add SEI resistance
+ if self.options["sei film resistance"] == "distributed":
+ L_sei = variables[
+ "Total " + self.domain.lower() + " electrode sei thickness"
+ ]
+ j = variables[self.domain + " electrode interfacial current density"]
+ eta_r -= j * L_sei * pybamm.sei_parameters.R_sei
+ elif self.options["sei film resistance"] == "average":
+ L_sei = variables[
+ "Total " + self.domain.lower() + " electrode sei thickness"
+ ]
+ eta_r -= j_tot_av * L_sei * pybamm.sei_parameters.R_sei
+
# Get number of electrons in reaction
ne = self._get_number_of_electrons_in_reaction()
# Get kinetics. Note: T must have the same domain as j0 and eta_r
@@ -46,12 +86,21 @@ def get_coupled_variables(self, variables):
T = variables["X-averaged cell temperature"]
else:
T = variables[self.domain + " electrode temperature"]
+
+ # Update j, except in the "distributed SEI resistance" model, where j will be
+ # found by solving an algebraic equation
+ # (In the "distributed SEI resistance" model, we have already defined j)
j = self._get_kinetics(j0, ne, eta_r, T)
- # Get average interfacial current density
- j_tot_av = self._get_average_total_interfacial_current_density(variables)
- # j = j_tot_av + (j - pybamm.x_average(j)) # enforce true average
+ if (
+ self.options["sei film resistance"] == "distributed"
+ and "main" in self.reaction
+ ):
+ variables.update(
+ {self.domain + " electrode" + self.reaction_name + " reaction term": j}
+ )
+ else:
+ variables.update(self._get_standard_interfacial_current_variables(j))
- variables.update(self._get_standard_interfacial_current_variables(j))
variables.update(
self._get_standard_total_interfacial_current_variables(j_tot_av)
)
@@ -76,6 +125,42 @@ def get_coupled_variables(self, variables):
return variables
+ def set_algebraic(self, variables):
+ if (
+ self.options["sei film resistance"] == "distributed"
+ and "main" in self.reaction
+ ):
+ j = variables[
+ self.domain
+ + " electrode"
+ + self.reaction_name
+ + " interfacial current density"
+ ]
+ reaction = variables[
+ self.domain + " electrode" + self.reaction_name + " reaction term"
+ ]
+ # Algebraic equation to set j equal to the reaction term
+ self.algebraic[j] = j - reaction
+
+ def set_initial_conditions(self, variables):
+ if (
+ self.options["sei film resistance"] == "distributed"
+ and "main" in self.reaction
+ ):
+ param = self.param
+ j = variables[
+ self.domain
+ + " electrode"
+ + self.reaction_name
+ + " interfacial current density"
+ ]
+ if self.domain == "Negative":
+ j_av_init = param.current_with_time / param.l_n
+ elif self.domain == "Positive":
+ j_av_init = -param.current_with_time / param.l_p
+
+ self.initial_conditions[j] = j_av_init
+
def _get_dj_dc(self, variables):
"""
Default to calculate derivative of interfacial current density with respect to
diff --git a/pybamm/models/submodels/interface/kinetics/butler_volmer.py b/pybamm/models/submodels/interface/kinetics/butler_volmer.py
index 9a6480c78d..4acc05cac6 100644
--- a/pybamm/models/submodels/interface/kinetics/butler_volmer.py
+++ b/pybamm/models/submodels/interface/kinetics/butler_volmer.py
@@ -21,12 +21,15 @@ class ButlerVolmer(BaseKinetics):
The domain to implement the model, either: 'Negative' or 'Positive'.
reaction : str
The name of the reaction being implemented
+ options: dict
+ A dictionary of options to be passed to the model. In this case "sei film
+ resistance" is the important option. See :class:`pybamm.BaseBatteryModel`
**Extends:** :class:`pybamm.interface.kinetics.BaseKinetics`
"""
- def __init__(self, param, domain, reaction):
- super().__init__(param, domain, reaction)
+ def __init__(self, param, domain, reaction, options=None):
+ super().__init__(param, domain, reaction, options)
def _get_kinetics(self, j0, ne, eta_r, T):
prefactor = ne / (2 * (1 + self.param.Theta * T))
diff --git a/pybamm/models/submodels/interface/kinetics/tafel.py b/pybamm/models/submodels/interface/kinetics/tafel.py
index 4aff0c6a75..01e9c3f8ba 100644
--- a/pybamm/models/submodels/interface/kinetics/tafel.py
+++ b/pybamm/models/submodels/interface/kinetics/tafel.py
@@ -20,12 +20,15 @@ class ForwardTafel(BaseKinetics):
The domain to implement the model, either: 'Negative' or 'Positive'.
reaction : str
The name of the reaction being implemented
+ options: dict
+ A dictionary of options to be passed to the model. In this case "sei film
+ resistance" is the important option. See :class:`pybamm.BaseBatteryModel`
**Extends:** :class:`pybamm.interface.kinetics.BaseKinetics`
"""
- def __init__(self, param, domain, reaction):
- super().__init__(param, domain, reaction)
+ def __init__(self, param, domain, reaction, options=None):
+ super().__init__(param, domain, reaction, options)
def _get_kinetics(self, j0, ne, eta_r, T):
return j0 * pybamm.exp((ne / (2 * (1 + self.param.Theta * T))) * eta_r)
diff --git a/pybamm/models/submodels/sei/__init__.py b/pybamm/models/submodels/interface/sei/__init__.py
similarity index 100%
rename from pybamm/models/submodels/sei/__init__.py
rename to pybamm/models/submodels/interface/sei/__init__.py
diff --git a/pybamm/models/submodels/sei/base_sei.py b/pybamm/models/submodels/interface/sei/base_sei.py
similarity index 59%
rename from pybamm/models/submodels/sei/base_sei.py
rename to pybamm/models/submodels/interface/sei/base_sei.py
index 3299ae11f0..aee9408d06 100644
--- a/pybamm/models/submodels/sei/base_sei.py
+++ b/pybamm/models/submodels/interface/sei/base_sei.py
@@ -2,24 +2,25 @@
# Base class for SEI models.
#
import pybamm
+from ..base_interface import BaseInterface
-class BaseModel(pybamm.BaseSubModel):
+class BaseModel(BaseInterface):
"""Base class for SEI models.
Parameters
----------
param : parameter class
The parameters to use for this submodel
- reactions : dict, optional
- Dictionary of reaction terms
+ domain : str
+ The domain to implement the model, either: 'Negative' or 'Positive'.
- **Extends:** :class:`pybamm.BaseSubModel`
+ **Extends:** :class:`pybamm.interface.BaseInterface`
"""
def __init__(self, param, domain):
- self.domain = domain
- super().__init__(param)
+ reaction = "sei"
+ super().__init__(param, domain, reaction)
def _get_standard_thickness_variables(self, L_inner, L_outer):
"""
@@ -69,44 +70,32 @@ def _get_standard_thickness_variables(self, L_inner, L_outer):
Q_sei = n_SEI_av * self.param.L_n * self.param.L_y * self.param.L_z
+ domain = self.domain.lower() + " electrode"
+
variables = {
- "Inner " + self.domain.lower() + " sei thickness": L_inner,
- "Inner " + self.domain.lower() + " sei thickness [m]": L_inner * L_scale,
- "X-averaged inner " + self.domain.lower() + " sei thickness": L_inner_av,
- "X-averaged inner "
- + self.domain.lower()
- + " sei thickness [m]": L_inner_av * L_scale,
- "Outer " + self.domain.lower() + " sei thickness": L_outer,
- "Outer " + self.domain.lower() + " sei thickness [m]": L_outer * L_scale,
- "X-averaged outer " + self.domain.lower() + " sei thickness": L_outer_av,
- "X-averaged outer "
- + self.domain.lower()
- + " sei thickness [m]": L_outer_av * L_scale,
- "Total " + self.domain.lower() + " sei thickness": L_sei,
- "Total " + self.domain.lower() + " sei thickness [m]": L_sei * L_scale,
- "X-averaged total " + self.domain.lower() + " sei thickness": L_sei_av,
- "X-averaged total "
- + self.domain.lower()
- + " sei thickness [m]": L_sei_av * L_scale,
- "Inner "
- + self.domain.lower()
- + " sei concentration [mol.m-3]": n_inner * n_scale,
+ "Inner " + domain + " sei thickness": L_inner,
+ "Inner " + domain + " sei thickness [m]": L_inner * L_scale,
+ "X-averaged inner " + domain + " sei thickness": L_inner_av,
+ "X-averaged inner " + domain + " sei thickness [m]": L_inner_av * L_scale,
+ "Outer " + domain + " sei thickness": L_outer,
+ "Outer " + domain + " sei thickness [m]": L_outer * L_scale,
+ "X-averaged outer " + domain + " sei thickness": L_outer_av,
+ "X-averaged outer " + domain + " sei thickness [m]": L_outer_av * L_scale,
+ "Total " + domain + " sei thickness": L_sei,
+ "Total " + domain + " sei thickness [m]": L_sei * L_scale,
+ "X-averaged total " + domain + " sei thickness": L_sei_av,
+ "X-averaged total " + domain + " sei thickness [m]": L_sei_av * L_scale,
+ "Inner " + domain + " sei concentration [mol.m-3]": n_inner * n_scale,
"X-averaged inner "
- + self.domain.lower()
+ + domain
+ " sei concentration [mol.m-3]": n_inner_av * n_scale,
- "Outer "
- + self.domain.lower()
- + " sei concentration [mol.m-3]": n_outer * n_outer_scale,
+ "Outer " + domain + " sei concentration [mol.m-3]": n_outer * n_outer_scale,
"X-averaged outer "
- + self.domain.lower()
+ + domain
+ " sei concentration [mol.m-3]": n_outer_av * n_outer_scale,
self.domain + " sei concentration [mol.m-3]": n_SEI * n_scale,
- "X-averaged "
- + self.domain.lower()
- + " sei concentration [mol.m-3]": n_SEI_av * n_scale,
- "Loss of lithium to "
- + self.domain.lower()
- + " sei [mols]": Q_sei * n_scale,
+ "X-averaged " + domain + " sei concentration [mol.m-3]": n_SEI_av * n_scale,
+ "Loss of lithium to " + domain + " sei [mols]": Q_sei * n_scale,
}
return variables
@@ -145,41 +134,34 @@ def _get_standard_reaction_variables(self, j_inner, j_outer):
j_sei = j_inner + j_outer
j_sei_av = pybamm.x_average(j_sei)
+ domain = self.domain.lower() + " electrode"
+ Domain = domain.capitalize()
+
variables = {
+ "Inner " + domain + " sei interfacial current density": j_inner,
"Inner "
- + self.domain.lower()
- + " sei interfacial current density": j_inner,
- "Inner "
- + self.domain.lower()
+ + domain
+ " sei interfacial current density [A.m-2]": j_inner * j_scale,
+ "X-averaged inner " + domain + " sei interfacial current density": j_i_av,
"X-averaged inner "
- + self.domain.lower()
- + " sei interfacial current density": j_i_av,
- "X-averaged inner "
- + self.domain.lower()
+ + domain
+ " sei interfacial current density [A.m-2]": j_i_av * j_scale,
+ "Outer " + domain + " sei interfacial current density": j_outer,
"Outer "
- + self.domain.lower()
- + " sei interfacial current density": j_outer,
- "Outer "
- + self.domain.lower()
+ + domain
+ " sei interfacial current density [A.m-2]": j_outer * j_scale,
+ "X-averaged outer " + domain + " sei interfacial current density": j_o_av,
"X-averaged outer "
- + self.domain.lower()
- + " sei interfacial current density": j_o_av,
- "X-averaged outer "
- + self.domain.lower()
+ + domain
+ " sei interfacial current density [A.m-2]": j_o_av * j_scale,
- self.domain + " sei interfacial current density": j_sei,
- self.domain + " sei interfacial current density [A.m-2]": j_sei * j_scale,
- "X-averaged "
- + self.domain.lower()
- + " sei interfacial current density": j_sei_av,
+ Domain + " sei interfacial current density": j_sei,
+ Domain + " sei interfacial current density [A.m-2]": j_sei * j_scale,
+ "X-averaged " + domain + " sei interfacial current density": j_sei_av,
"X-averaged "
- + self.domain.lower()
+ + domain
+ " sei interfacial current density [A.m-2]": j_sei_av * j_scale,
"Scaled "
- + self.domain.lower()
+ + domain
+ " sei interfacial current density": j_sei * Gamma_SEI_n,
}
diff --git a/pybamm/models/submodels/interface/sei/constant_sei.py b/pybamm/models/submodels/interface/sei/constant_sei.py
new file mode 100644
index 0000000000..61af717dd4
--- /dev/null
+++ b/pybamm/models/submodels/interface/sei/constant_sei.py
@@ -0,0 +1,52 @@
+#
+# Class for constant SEI thickness
+#
+import pybamm
+from .base_sei import BaseModel
+
+
+class ConstantSEI(BaseModel):
+ """Base class for SEI with constant thickness.
+
+ Note that there is no SEI current, so we don't need to update the "sum of
+ interfacial current densities" variables from
+ :class:`pybamm.interface.BaseInterface`
+
+ Parameters
+ ----------
+ param : parameter class
+ The parameters to use for this submodel
+ domain : str
+ The domain of the model either 'Negative' or 'Positive'
+
+ **Extends:** :class:`pybamm.sei.BaseModel`
+ """
+
+ def __init__(self, param, domain):
+ super().__init__(param, domain)
+
+ def get_fundamental_variables(self):
+ # Constant thicknesses
+ L_inner = pybamm.sei_parameters.L_inner_0
+ L_outer = pybamm.sei_parameters.L_outer_0
+ variables = self._get_standard_thickness_variables(L_inner, L_outer)
+
+ # Reactions
+ zero = pybamm.FullBroadcast(
+ pybamm.Scalar(0), self.domain.lower() + " electrode", "current collector"
+ )
+ variables.update(self._get_standard_reaction_variables(zero, zero))
+
+ return variables
+
+ def get_coupled_variables(self, variables):
+ # Update whole cell variables, which also updates the "sum of" variables
+ if (
+ "Negative electrode sei interfacial current density" in variables
+ and "Positive electrode sei interfacial current density" in variables
+ ):
+ variables.update(
+ self._get_standard_whole_cell_interfacial_current_variables(variables)
+ )
+
+ return variables
diff --git a/pybamm/models/submodels/sei/electron_migration_limited.py b/pybamm/models/submodels/interface/sei/electron_migration_limited.py
similarity index 57%
rename from pybamm/models/submodels/sei/electron_migration_limited.py
rename to pybamm/models/submodels/interface/sei/electron_migration_limited.py
index 2ba791ec62..fbc6ba9467 100644
--- a/pybamm/models/submodels/sei/electron_migration_limited.py
+++ b/pybamm/models/submodels/interface/sei/electron_migration_limited.py
@@ -15,8 +15,7 @@ class ElectronMigrationLimited(BaseModel):
domain : str
The domain of the model either 'Negative' or 'Positive'
-
- **Extends:** :class:`pybamm.particle.BaseParticle`
+ **Extends:** :class:`pybamm.sei.BaseModel`
"""
def __init__(self, param, domain):
@@ -31,8 +30,10 @@ def get_fundamental_variables(self):
return variables
def get_coupled_variables(self, variables):
- L_sei_inner = variables["Inner negative electrode sei thickness"]
- phi_s_n = variables["Negative electrode potential"]
+ L_sei_inner = variables[
+ "Inner " + self.domain.lower() + " electrode sei thickness"
+ ]
+ phi_s_n = variables[self.domain + " electrode potential"]
C_sei = pybamm.sei_parameters.C_sei_electron
U_inner = pybamm.sei_parameters.U_inner_electron
@@ -45,25 +46,32 @@ def get_coupled_variables(self, variables):
variables.update(self._get_standard_reaction_variables(j_inner, j_outer))
+ # Update whole cell variables, which also updates the "sum of" variables
+ if (
+ "Negative electrode sei interfacial current density" in variables
+ and "Positive electrode sei interfacial current density" in variables
+ ):
+ variables.update(
+ self._get_standard_whole_cell_interfacial_current_variables(variables)
+ )
+
return variables
def set_rhs(self, variables):
- L_inner = variables["Inner " + self.domain.lower() + " sei thickness"]
- L_outer = variables["Outer " + self.domain.lower() + " sei thickness"]
- j_inner = variables[
- "Inner " + self.domain.lower() + " sei interfacial current density"
- ]
- j_outer = variables[
- "Outer " + self.domain.lower() + " sei interfacial current density"
- ]
+ domain = self.domain.lower() + " electrode"
+ L_inner = variables["Inner " + domain + " sei thickness"]
+ L_outer = variables["Outer " + domain + " sei thickness"]
+ j_inner = variables["Inner " + domain + " sei interfacial current density"]
+ j_outer = variables["Outer " + domain + " sei interfacial current density"]
v_bar = pybamm.sei_parameters.v_bar
self.rhs = {L_inner: -j_inner, L_outer: -v_bar * j_outer}
def set_initial_conditions(self, variables):
- L_inner = variables["Inner " + self.domain.lower() + " sei thickness"]
- L_outer = variables["Outer " + self.domain.lower() + " sei thickness"]
+ domain = self.domain.lower() + " electrode"
+ L_inner = variables["Inner " + domain + " sei thickness"]
+ L_outer = variables["Outer " + domain + " sei thickness"]
L_inner_0 = pybamm.sei_parameters.L_inner_0
L_outer_0 = pybamm.sei_parameters.L_outer_0
diff --git a/pybamm/models/submodels/sei/interstitial_diffusion_limited.py b/pybamm/models/submodels/interface/sei/interstitial_diffusion_limited.py
similarity index 55%
rename from pybamm/models/submodels/sei/interstitial_diffusion_limited.py
rename to pybamm/models/submodels/interface/sei/interstitial_diffusion_limited.py
index 4e78c13c91..0b2b1e68dc 100644
--- a/pybamm/models/submodels/sei/interstitial_diffusion_limited.py
+++ b/pybamm/models/submodels/interface/sei/interstitial_diffusion_limited.py
@@ -15,8 +15,7 @@ class InterstitialDiffusionLimited(BaseModel):
domain : str
The domain of the model either 'Negative' or 'Positive'
-
- **Extends:** :class:`pybamm.particle.BaseParticle`
+ **Extends:** :class:`pybamm.sei.BaseModel`
"""
def __init__(self, param, domain):
@@ -31,9 +30,11 @@ def get_fundamental_variables(self):
return variables
def get_coupled_variables(self, variables):
- L_sei_inner = variables["Inner negative electrode sei thickness"]
- phi_s_n = variables["Negative electrode potential"]
- phi_e_n = variables["Negative electrolyte potential"]
+ L_sei_inner = variables[
+ "Inner " + self.domain.lower() + " electrode sei thickness"
+ ]
+ phi_s_n = variables[self.domain + " electrode potential"]
+ phi_e_n = variables[self.domain + " electrolyte potential"]
C_sei = pybamm.sei_parameters.C_sei_inter
@@ -45,25 +46,32 @@ def get_coupled_variables(self, variables):
variables.update(self._get_standard_reaction_variables(j_inner, j_outer))
+ # Update whole cell variables, which also updates the "sum of" variables
+ if (
+ "Negative electrode sei interfacial current density" in variables
+ and "Positive electrode sei interfacial current density" in variables
+ ):
+ variables.update(
+ self._get_standard_whole_cell_interfacial_current_variables(variables)
+ )
+
return variables
def set_rhs(self, variables):
- L_inner = variables["Inner " + self.domain.lower() + " sei thickness"]
- L_outer = variables["Outer " + self.domain.lower() + " sei thickness"]
- j_inner = variables[
- "Inner " + self.domain.lower() + " sei interfacial current density"
- ]
- j_outer = variables[
- "Outer " + self.domain.lower() + " sei interfacial current density"
- ]
+ domain = self.domain.lower() + " electrode"
+ L_inner = variables["Inner " + domain + " sei thickness"]
+ L_outer = variables["Outer " + domain + " sei thickness"]
+ j_inner = variables["Inner " + domain + " sei interfacial current density"]
+ j_outer = variables["Outer " + domain + " sei interfacial current density"]
v_bar = pybamm.sei_parameters.v_bar
self.rhs = {L_inner: -j_inner, L_outer: -v_bar * j_outer}
def set_initial_conditions(self, variables):
- L_inner = variables["Inner " + self.domain.lower() + " sei thickness"]
- L_outer = variables["Outer " + self.domain.lower() + " sei thickness"]
+ domain = self.domain.lower() + " electrode"
+ L_inner = variables["Inner " + domain + " sei thickness"]
+ L_outer = variables["Outer " + domain + " sei thickness"]
L_inner_0 = pybamm.sei_parameters.L_inner_0
L_outer_0 = pybamm.sei_parameters.L_outer_0
diff --git a/pybamm/models/submodels/sei/no_sei.py b/pybamm/models/submodels/interface/sei/no_sei.py
similarity index 52%
rename from pybamm/models/submodels/sei/no_sei.py
rename to pybamm/models/submodels/interface/sei/no_sei.py
index 65098b8713..17d659dacc 100644
--- a/pybamm/models/submodels/sei/no_sei.py
+++ b/pybamm/models/submodels/interface/sei/no_sei.py
@@ -15,8 +15,7 @@ class NoSEI(BaseModel):
domain : str
The domain of the model either 'Negative' or 'Positive'
-
- **Extends:** :class:`pybamm.particle.BaseParticle`
+ **Extends:** :class:`pybamm.sei.BaseModel`
"""
def __init__(self, param, domain):
@@ -24,8 +23,20 @@ def __init__(self, param, domain):
def get_fundamental_variables(self):
zero = pybamm.FullBroadcast(
- pybamm.Scalar(0), self.domain.lower(), "current collector"
+ pybamm.Scalar(0), self.domain.lower() + " electrode", "current collector"
)
variables = self._get_standard_thickness_variables(zero, zero)
variables.update(self._get_standard_reaction_variables(zero, zero))
return variables
+
+ def get_coupled_variables(self, variables):
+ # Update whole cell variables, which also updates the "sum of" variables
+ if (
+ "Negative electrode sei interfacial current density" in variables
+ and "Positive electrode sei interfacial current density" in variables
+ ):
+ variables.update(
+ self._get_standard_whole_cell_interfacial_current_variables(variables)
+ )
+
+ return variables
diff --git a/pybamm/models/submodels/interface/sei/reaction_limited.py b/pybamm/models/submodels/interface/sei/reaction_limited.py
new file mode 100644
index 0000000000..b8a43d7bad
--- /dev/null
+++ b/pybamm/models/submodels/interface/sei/reaction_limited.py
@@ -0,0 +1,94 @@
+#
+# Class for reaction limited SEI growth
+#
+import pybamm
+from .base_sei import BaseModel
+
+
+class ReactionLimited(BaseModel):
+ """Base class for reaction limited SEI growth.
+
+ Parameters
+ ----------
+ param : parameter class
+ The parameters to use for this submodel
+ domain : str
+ The domain of the model either 'Negative' or 'Positive'
+
+ **Extends:** :class:`pybamm.sei.BaseModel`
+ """
+
+ def __init__(self, param, domain):
+ super().__init__(param, domain)
+
+ def get_fundamental_variables(self):
+ L_inner = pybamm.standard_variables.L_inner
+ L_outer = pybamm.standard_variables.L_outer
+
+ variables = self._get_standard_thickness_variables(L_inner, L_outer)
+
+ return variables
+
+ def get_coupled_variables(self, variables):
+ phi_s_n = variables[self.domain + " electrode potential"]
+ phi_e_n = variables[self.domain + " electrolyte potential"]
+
+ # Look for current that contributes to the -IR drop
+ # If we can't find the interfacial current density from the main reaction, j,
+ # it's ok to fall back on the total interfacial current density, j_tot
+ # This should only happen when the interface submodel is "InverseButlerVolmer"
+ # in which case j = j_tot (uniform) anyway
+ try:
+ j = variables[self.domain + " electrode interfacial current density"]
+ except KeyError:
+ j = variables[
+ "X-averaged "
+ + self.domain.lower()
+ + " electrode total interfacial current density"
+ ]
+ L_sei = variables["Total " + self.domain.lower() + " electrode sei thickness"]
+
+ C_sei = pybamm.sei_parameters.C_sei_reaction
+ R_sei = pybamm.sei_parameters.R_sei
+ alpha = 0.5
+ # alpha = pybamm.sei_parameters.alpha
+
+ # need to revise for thermal case
+ j_sei = -(1 / C_sei) * pybamm.exp(-(phi_s_n - phi_e_n - j * L_sei * R_sei))
+
+ j_inner = alpha * j_sei
+ j_outer = (1 - alpha) * j_sei
+
+ variables.update(self._get_standard_reaction_variables(j_inner, j_outer))
+
+ # Update whole cell variables, which also updates the "sum of" variables
+ if (
+ "Negative electrode sei interfacial current density" in variables
+ and "Positive electrode sei interfacial current density" in variables
+ ):
+ variables.update(
+ self._get_standard_whole_cell_interfacial_current_variables(variables)
+ )
+
+ return variables
+
+ def set_rhs(self, variables):
+ domain = self.domain.lower() + " electrode"
+ L_inner = variables["Inner " + domain + " sei thickness"]
+ L_outer = variables["Outer " + domain + " sei thickness"]
+ j_inner = variables["Inner " + domain + " sei interfacial current density"]
+ j_outer = variables["Outer " + domain + " sei interfacial current density"]
+
+ v_bar = pybamm.sei_parameters.v_bar
+
+ self.rhs = {L_inner: -j_inner, L_outer: -v_bar * j_outer}
+
+ def set_initial_conditions(self, variables):
+ domain = self.domain.lower() + " electrode"
+ L_inner = variables["Inner " + domain + " sei thickness"]
+ L_outer = variables["Outer " + domain + " sei thickness"]
+
+ L_inner_0 = pybamm.sei_parameters.L_inner_0
+ L_outer_0 = pybamm.sei_parameters.L_outer_0
+
+ self.initial_conditions = {L_inner: L_inner_0, L_outer: L_outer_0}
diff --git a/pybamm/models/submodels/sei/solvent_diffusion_limited.py b/pybamm/models/submodels/interface/sei/solvent_diffusion_limited.py
similarity index 57%
rename from pybamm/models/submodels/sei/solvent_diffusion_limited.py
rename to pybamm/models/submodels/interface/sei/solvent_diffusion_limited.py
index 9b1b022421..6d7b3bd8cf 100644
--- a/pybamm/models/submodels/sei/solvent_diffusion_limited.py
+++ b/pybamm/models/submodels/interface/sei/solvent_diffusion_limited.py
@@ -15,8 +15,7 @@ class SolventDiffusionLimited(BaseModel):
domain : str
The domain of the model either 'Negative' or 'Positive'
-
- **Extends:** :class:`pybamm.particle.BaseParticle`
+ **Extends:** :class:`pybamm.sei.BaseModel`
"""
def __init__(self, param, domain):
@@ -31,7 +30,9 @@ def get_fundamental_variables(self):
return variables
def get_coupled_variables(self, variables):
- L_sei_outer = variables["Outer negative electrode sei thickness"]
+ L_sei_outer = variables[
+ "Outer " + self.domain.lower() + " electrode sei thickness"
+ ]
C_sei = pybamm.sei_parameters.C_sei_solvent
@@ -43,25 +44,32 @@ def get_coupled_variables(self, variables):
variables.update(self._get_standard_reaction_variables(j_inner, j_outer))
+ # Update whole cell variables, which also updates the "sum of" variables
+ if (
+ "Negative electrode sei interfacial current density" in variables
+ and "Positive electrode sei interfacial current density" in variables
+ ):
+ variables.update(
+ self._get_standard_whole_cell_interfacial_current_variables(variables)
+ )
+
return variables
def set_rhs(self, variables):
- L_inner = variables["Inner " + self.domain.lower() + " sei thickness"]
- L_outer = variables["Outer " + self.domain.lower() + " sei thickness"]
- j_inner = variables[
- "Inner " + self.domain.lower() + " sei interfacial current density"
- ]
- j_outer = variables[
- "Outer " + self.domain.lower() + " sei interfacial current density"
- ]
+ domain = self.domain.lower() + " electrode"
+ L_inner = variables["Inner " + domain + " sei thickness"]
+ L_outer = variables["Outer " + domain + " sei thickness"]
+ j_inner = variables["Inner " + domain + " sei interfacial current density"]
+ j_outer = variables["Outer " + domain + " sei interfacial current density"]
v_bar = pybamm.sei_parameters.v_bar
self.rhs = {L_inner: -j_inner, L_outer: -v_bar * j_outer}
def set_initial_conditions(self, variables):
- L_inner = variables["Inner " + self.domain.lower() + " sei thickness"]
- L_outer = variables["Outer " + self.domain.lower() + " sei thickness"]
+ domain = self.domain.lower() + " electrode"
+ L_inner = variables["Inner " + domain + " sei thickness"]
+ L_outer = variables["Outer " + domain + " sei thickness"]
L_inner_0 = pybamm.sei_parameters.L_inner_0
L_outer_0 = pybamm.sei_parameters.L_outer_0
diff --git a/pybamm/models/submodels/sei/constant_sei.py b/pybamm/models/submodels/sei/constant_sei.py
deleted file mode 100644
index 43b450bee0..0000000000
--- a/pybamm/models/submodels/sei/constant_sei.py
+++ /dev/null
@@ -1,38 +0,0 @@
-#
-# Class for constant SEI thickness
-#
-import pybamm
-from .base_sei import BaseModel
-
-
-class ConstantSEI(BaseModel):
- """Base class for no SEI.
-
- Parameters
- ----------
- param : parameter class
- The parameters to use for this submodel
- domain : str
- The domain of the model either 'Negative' or 'Positive'
-
- **Extends:** :class:`pybamm.particle.BaseParticle`
- """
-
- def __init__(self, param, domain):
- super().__init__(param, domain)
-
- def get_fundamental_variables(self):
- param = self.param
-
- # Constant thicknesses
- L_inner = pybamm.sei_parameters.L_inner_0
- L_outer = pybamm.sei_parameters.L_outer_0
- variables = self._get_standard_thickness_variables(L_inner, L_outer)
-
- # Reactions
- zero = pybamm.FullBroadcast(
- pybamm.Scalar(0), self.domain.lower(), "current collector"
- )
- variables.update(self._get_standard_reaction_variables(zero, zero))
-
- return variables
diff --git a/pybamm/models/submodels/sei/reaction_limited.py b/pybamm/models/submodels/sei/reaction_limited.py
deleted file mode 100644
index 4fe2f0f6ad..0000000000
--- a/pybamm/models/submodels/sei/reaction_limited.py
+++ /dev/null
@@ -1,75 +0,0 @@
-#
-# Class for reaction limited SEI growth
-#
-import pybamm
-from .base_sei import BaseModel
-
-
-class ReactionLimited(BaseModel):
- """Base class for reaction limited SEI growth.
-
- Parameters
- ----------
- param : parameter class
- The parameters to use for this submodel
- domain : str
- The domain of the model either 'Negative' or 'Positive'
-
-
- **Extends:** :class:`pybamm.particle.BaseParticle`
- """
-
- def __init__(self, param, domain):
- super().__init__(param, domain)
-
- def get_fundamental_variables(self):
- L_inner = pybamm.standard_variables.L_inner
- L_outer = pybamm.standard_variables.L_outer
-
- variables = self._get_standard_thickness_variables(L_inner, L_outer)
-
- return variables
-
- def get_coupled_variables(self, variables):
- phi_s_n = variables["Negative electrode potential"]
- phi_e_n = variables["Negative electrolyte potential"]
- j_n = variables["Negative electrode interfacial current density"]
- L_sei = variables["Total negative electrode sei thickness"]
-
- C_sei = pybamm.sei_parameters.C_sei_reaction
- R_sei = pybamm.sei_parameters.R_sei
- alpha = 0.5
- # alpha = pybamm.sei_parameters.alpha
-
- # need to revise for thermal case
- j_sei = - (1 / C_sei) * pybamm.exp(-(phi_s_n - phi_e_n - j_n * L_sei * R_sei))
-
- j_inner = alpha * j_sei
- j_outer = (1 - alpha) * j_sei
-
- variables.update(self._get_standard_reaction_variables(j_inner, j_outer))
-
- return variables
-
- def set_rhs(self, variables):
- L_inner = variables["Inner " + self.domain.lower() + " sei thickness"]
- L_outer = variables["Outer " + self.domain.lower() + " sei thickness"]
- j_inner = variables[
- "Inner " + self.domain.lower() + " sei interfacial current density"
- ]
- j_outer = variables[
- "Outer " + self.domain.lower() + " sei interfacial current density"
- ]
-
- v_bar = pybamm.sei_parameters.v_bar
-
- self.rhs = {L_inner: -j_inner, L_outer: -v_bar * j_outer}
-
- def set_initial_conditions(self, variables):
- L_inner = variables["Inner " + self.domain.lower() + " sei thickness"]
- L_outer = variables["Outer " + self.domain.lower() + " sei thickness"]
-
- L_inner_0 = pybamm.sei_parameters.L_inner_0
- L_outer_0 = pybamm.sei_parameters.L_outer_0
-
- self.initial_conditions = {L_inner: L_inner_0, L_outer: L_outer_0}
diff --git a/pybamm/parameters/standard_parameters_lithium_ion.py b/pybamm/parameters/standard_parameters_lithium_ion.py
index c4f830c8bf..2f7608ea4e 100644
--- a/pybamm/parameters/standard_parameters_lithium_ion.py
+++ b/pybamm/parameters/standard_parameters_lithium_ion.py
@@ -97,8 +97,6 @@
C_dl_p_dimensional = pybamm.Parameter(
"Positive electrode double-layer capacity [F.m-2]"
)
-# Oxygen parameters, for reusing same submodels as lead-acid
-s_plus_Ox = 0
# Initial conditions
diff --git a/tests/unit/test_models/test_full_battery_models/test_base_battery_model.py b/tests/unit/test_models/test_full_battery_models/test_base_battery_model.py
index 8a04484ca6..f148e72aad 100644
--- a/tests/unit/test_models/test_full_battery_models/test_base_battery_model.py
+++ b/tests/unit/test_models/test_full_battery_models/test_base_battery_model.py
@@ -107,7 +107,7 @@ def test_default_spatial_methods(self):
)
)
- def test_bad_options(self):
+ def test_options(self):
with self.assertRaisesRegex(pybamm.OptionError, "Option"):
pybamm.BaseBatteryModel({"bad option": "bad option"})
with self.assertRaisesRegex(pybamm.OptionError, "current collector model"):
@@ -131,6 +131,17 @@ def test_bad_options(self):
with self.assertRaisesRegex(pybamm.OptionError, "operating mode"):
pybamm.BaseBatteryModel({"operating mode": "bad operating mode"})
+ # SEI options
+ with self.assertRaisesRegex(pybamm.OptionError, "sei"):
+ pybamm.BaseBatteryModel({"sei": "bad sei"})
+ with self.assertRaisesRegex(pybamm.OptionError, "sei film resistance"):
+ pybamm.BaseBatteryModel({"sei film resistance": "bad sei film resistance"})
+ # variable defaults
+ model = pybamm.BaseBatteryModel()
+ self.assertEqual(model.options["sei film resistance"], None)
+ model = pybamm.BaseBatteryModel({"sei": "constant"})
+ self.assertEqual(model.options["sei film resistance"], "distributed")
+
def test_build_twice(self):
model = pybamm.lithium_ion.SPM() # need to pick a model to set vars and build
with self.assertRaisesRegex(pybamm.ModelError, "Model already built"):
@@ -141,7 +152,7 @@ def test_get_coupled_variables(self):
model.submodels["current collector"] = pybamm.current_collector.Uniform(
model.param
)
- with self.assertRaisesRegex(pybamm.ModelError, "Submodel"):
+ with self.assertRaisesRegex(pybamm.ModelError, "Missing variable"):
model.build_model()
diff --git a/tests/unit/test_models/test_full_battery_models/test_lead_acid/test_base_lead_acid_model.py b/tests/unit/test_models/test_full_battery_models/test_lead_acid/test_base_lead_acid_model.py
index dc0d7b7596..fdd0e859d2 100644
--- a/tests/unit/test_models/test_full_battery_models/test_lead_acid/test_base_lead_acid_model.py
+++ b/tests/unit/test_models/test_full_battery_models/test_lead_acid/test_base_lead_acid_model.py
@@ -30,9 +30,11 @@ def test_default_geometry(self):
def test_incompatible_options(self):
with self.assertRaisesRegex(
pybamm.OptionError,
- "Lead-acid models can only have thermal " "effects if dimensionality is 0.",
+ "Lead-acid models can only have thermal effects if dimensionality is 0.",
):
pybamm.lead_acid.BaseModel({"dimensionality": 1, "thermal": "x-full"})
+ with self.assertRaisesRegex(pybamm.OptionError, "SEI"):
+ pybamm.lead_acid.BaseModel({"sei": "constant"})
if __name__ == "__main__":
From 1f74cddbdcd0e59af676daccb4f5036b703aa330 Mon Sep 17 00:00:00 2001
From: Valentin Sulzer <valentinsulzer@hotmail.com>
Date: Wed, 13 May 2020 16:35:30 -0400
Subject: [PATCH 03/15] #984 add comments
---
examples/scripts/sei_growth.py | 21 ++++++++++++-------
.../inverse_kinetics/inverse_butler_volmer.py | 19 ++++++++++++++++-
2 files changed, 31 insertions(+), 9 deletions(-)
diff --git a/examples/scripts/sei_growth.py b/examples/scripts/sei_growth.py
index c7c9c4f088..7d622b6e4a 100644
--- a/examples/scripts/sei_growth.py
+++ b/examples/scripts/sei_growth.py
@@ -1,14 +1,19 @@
import pybamm as pb
import numpy as np
-pb.set_logging_level("DEBUG")
-
-options = {
- "sei": "reaction limited",
- "sei film resistance": None,
- # "surface form": "algebraic",
-}
-models = [pb.lithium_ion.SPM(options), pb.lithium_ion.DFN(options)]
+pb.set_logging_level("INFO")
+
+models = [
+ pb.lithium_ion.SPM({"sei": "reaction limited", "sei film resistance": None}),
+ pb.lithium_ion.SPM(
+ {
+ "sei": "reaction limited",
+ "sei film resistance": None,
+ "surface form": "algebraic",
+ }
+ ),
+ pb.lithium_ion.DFN({"sei": "reaction limited", "sei film resistance": None}),
+]
sims = []
for model in models:
diff --git a/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py b/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
index da59aa9740..59698ff531 100644
--- a/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
+++ b/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
@@ -59,6 +59,9 @@ def get_coupled_variables(self, variables):
# eta_r is the overpotential from inverting Butler-Volmer, regardless of any
# additional SEI resistance. What changes is how delta_phi is defined in terms
# of eta_r
+ # We use the total resistance to calculate eta_r, but this only introduces
+ # negligible errors. For the exact answer, the surface form submodels should
+ # be used instead
eta_r = self._get_overpotential(j_tot, j0, ne, T)
# With SEI resistance (distributed and averaged have the same effect here)
@@ -89,7 +92,21 @@ def _get_overpotential(self, j, j0, ne, T):
class CurrentForInverseButlerVolmer(BaseInterface):
"""
- Submodel for the current associated with the inverse Butler-Volmer formulation.
+ Submodel for the current associated with the inverse Butler-Volmer formulation. This
+ has to be created as a separate submodel because of how the interfacial currents
+ are calculated:
+
+ 1. Calculate eta_r from the total average current j_tot_av = I_app / L
+ 2. Calculate j_sei from eta_r
+ 3. Calculate j = j_tot_av - j_sei
+
+ To be able to do step 1, then step 2, then step 3 requires two different submodels
+ for step 1 and step 2
+
+ This introduces a little bit of error because eta_r is calculated using j_tot_av
+ instead of j. But since j_sei is very small, this error is very small. The "surface
+ form" model solves a differential or algebraic equation for delta_phi, which gives
+ the exact right answer. Comparing the two approaches shows almost no difference.
Parameters
----------
From 28fc8f1eacc69010fdeb473788d231d90b38b0ba Mon Sep 17 00:00:00 2001
From: Valentin Sulzer <valentinsulzer@hotmail.com>
Date: Wed, 13 May 2020 18:11:23 -0400
Subject: [PATCH 04/15] #984 passing unit tests
---
examples/scripts/compare_lithium_ion.py | 12 ++----
examples/scripts/sei_growth.py | 9 ++--
.../lead_acid/base_lead_acid_model.py | 5 +++
.../full_battery_models/lead_acid/full.py | 1 +
.../lead_acid/higher_order.py | 1 +
.../full_battery_models/lead_acid/loqs.py | 11 +++++
.../full_battery_models/lithium_ion/spme.py | 10 +++++
.../base_electrolyte_diffusion.py | 3 +-
.../submodels/interface/base_interface.py | 34 ++++++---------
.../inverse_kinetics/inverse_butler_volmer.py | 1 +
.../interface/kinetics/base_kinetics.py | 41 ++++++++++---------
.../submodels/interface/sei/constant_sei.py | 1 +
.../sei/electron_migration_limited.py | 1 +
.../sei/interstitial_diffusion_limited.py | 1 +
.../models/submodels/interface/sei/no_sei.py | 1 +
.../interface/sei/reaction_limited.py | 1 +
.../sei/solvent_diffusion_limited.py | 1 +
.../standard_parameters_lithium_ion.py | 7 ++--
.../test_lithium_ion/test_dfn.py | 6 +++
.../test_lithium_ion/test_dfn.py | 5 +++
20 files changed, 94 insertions(+), 58 deletions(-)
diff --git a/examples/scripts/compare_lithium_ion.py b/examples/scripts/compare_lithium_ion.py
index c92dfe2aa5..42cd480390 100644
--- a/examples/scripts/compare_lithium_ion.py
+++ b/examples/scripts/compare_lithium_ion.py
@@ -16,21 +16,17 @@
pybamm.set_logging_level("INFO")
# load models
-# options = {"thermal": "lumped"}
+options = {"thermal": "lumped"}
models = [
- # pybamm.lithium_ion.SPMe(),
- # pybamm.lithium_ion.SPMe({"sei": "constant"}),
- # pybamm.lithium_ion.SPMe(options),
- pybamm.lithium_ion.DFN(),
- pybamm.lithium_ion.DFN({"sei": "constant", "sei film resistance": "average"}),
- pybamm.lithium_ion.DFN({"sei": "constant", "sei film resistance": "distributed"}),
+ pybamm.lithium_ion.SPM(options),
+ pybamm.lithium_ion.SPMe(options),
+ pybamm.lithium_ion.DFN(options),
]
# load parameter values and process models and geometry
param = models[0].default_parameter_values
param["Current function [A]"] = 1
-param["SEI resistivity [Ohm.m]"] = 1
for model in models:
param.process_model(model)
diff --git a/examples/scripts/sei_growth.py b/examples/scripts/sei_growth.py
index 7d622b6e4a..0391bef490 100644
--- a/examples/scripts/sei_growth.py
+++ b/examples/scripts/sei_growth.py
@@ -4,15 +4,16 @@
pb.set_logging_level("INFO")
models = [
- pb.lithium_ion.SPM({"sei": "reaction limited", "sei film resistance": None}),
+ pb.lithium_ion.SPM({"sei": "reaction limited"}),
pb.lithium_ion.SPM(
{
"sei": "reaction limited",
- "sei film resistance": None,
+ # "sei film resistance": "average",
"surface form": "algebraic",
- }
+ },
+ name="Algebraic SPM",
),
- pb.lithium_ion.DFN({"sei": "reaction limited", "sei film resistance": None}),
+ pb.lithium_ion.DFN({"sei": "reaction limited"}),
]
sims = []
diff --git a/pybamm/models/full_battery_models/lead_acid/base_lead_acid_model.py b/pybamm/models/full_battery_models/lead_acid/base_lead_acid_model.py
index 990434414c..826374bd99 100644
--- a/pybamm/models/full_battery_models/lead_acid/base_lead_acid_model.py
+++ b/pybamm/models/full_battery_models/lead_acid/base_lead_acid_model.py
@@ -58,3 +58,8 @@ def set_soc_variables(self):
self.variables["Fractional Charge Input"] = fci
self.rhs[fci] = -self.variables["Total current density"] * 100
self.initial_conditions[fci] = self.param.q_init * 100
+
+ def set_sei_submodel(self):
+
+ self.submodels["negative sei"] = pybamm.sei.NoSEI(self.param, "Negative")
+ self.submodels["positive sei"] = pybamm.sei.NoSEI(self.param, "Positive")
diff --git a/pybamm/models/full_battery_models/lead_acid/full.py b/pybamm/models/full_battery_models/lead_acid/full.py
index 1fa1e70b15..3e4716e9bc 100644
--- a/pybamm/models/full_battery_models/lead_acid/full.py
+++ b/pybamm/models/full_battery_models/lead_acid/full.py
@@ -44,6 +44,7 @@ def __init__(self, options=None, name="Full model", build=True):
self.set_thermal_submodel()
self.set_side_reaction_submodels()
self.set_current_collector_submodel()
+ self.set_sei_submodel()
if build:
self.build_model()
diff --git a/pybamm/models/full_battery_models/lead_acid/higher_order.py b/pybamm/models/full_battery_models/lead_acid/higher_order.py
index 672250a4aa..24a0b02eb7 100644
--- a/pybamm/models/full_battery_models/lead_acid/higher_order.py
+++ b/pybamm/models/full_battery_models/lead_acid/higher_order.py
@@ -52,6 +52,7 @@ def __init__(self, options=None, name="Composite model", build=True):
self.set_tortuosity_submodels()
self.set_thermal_submodel()
self.set_current_collector_submodel()
+ self.set_sei_submodel()
if build:
self.build_model()
diff --git a/pybamm/models/full_battery_models/lead_acid/loqs.py b/pybamm/models/full_battery_models/lead_acid/loqs.py
index e40b860754..97cafcb6e3 100644
--- a/pybamm/models/full_battery_models/lead_acid/loqs.py
+++ b/pybamm/models/full_battery_models/lead_acid/loqs.py
@@ -44,6 +44,7 @@ def __init__(self, options=None, name="LOQS model", build=True):
self.set_thermal_submodel()
self.set_side_reaction_submodels()
self.set_current_collector_submodel()
+ self.set_sei_submodel()
if build:
self.build_model()
@@ -140,6 +141,16 @@ def set_interfacial_submodel(self):
] = pybamm.interface.InverseButlerVolmer(
self.param, "Positive", "lead-acid main"
)
+ self.submodels[
+ "negative interface current"
+ ] = pybamm.interface.CurrentForInverseButlerVolmer(
+ self.param, "Negative", "lithium-ion main"
+ )
+ self.submodels[
+ "positive interface current"
+ ] = pybamm.interface.CurrentForInverseButlerVolmer(
+ self.param, "Positive", "lithium-ion main"
+ )
else:
self.submodels[
"leading-order negative interface"
diff --git a/pybamm/models/full_battery_models/lithium_ion/spme.py b/pybamm/models/full_battery_models/lithium_ion/spme.py
index e033499988..93cd6deb44 100644
--- a/pybamm/models/full_battery_models/lithium_ion/spme.py
+++ b/pybamm/models/full_battery_models/lithium_ion/spme.py
@@ -83,6 +83,16 @@ def set_interfacial_submodel(self):
self.submodels["positive interface"] = pybamm.interface.InverseButlerVolmer(
self.param, "Positive", "lithium-ion main", self.options
)
+ self.submodels[
+ "negative interface current"
+ ] = pybamm.interface.CurrentForInverseButlerVolmer(
+ self.param, "Negative", "lithium-ion main"
+ )
+ self.submodels[
+ "positive interface current"
+ ] = pybamm.interface.CurrentForInverseButlerVolmer(
+ self.param, "Positive", "lithium-ion main"
+ )
def set_particle_submodel(self):
diff --git a/pybamm/models/submodels/electrolyte_diffusion/base_electrolyte_diffusion.py b/pybamm/models/submodels/electrolyte_diffusion/base_electrolyte_diffusion.py
index 42f016a281..7748cde679 100644
--- a/pybamm/models/submodels/electrolyte_diffusion/base_electrolyte_diffusion.py
+++ b/pybamm/models/submodels/electrolyte_diffusion/base_electrolyte_diffusion.py
@@ -96,8 +96,7 @@ def _get_standard_flux_variables(self, N_e):
"""
param = self.param
- D_e_typ = param.D_e(param.c_e_typ, param.T_init)
- flux_scale = D_e_typ * param.c_e_typ / param.L_x
+ flux_scale = param.D_e_typ * param.c_e_typ / param.L_x
variables = {
"Electrolyte flux": N_e,
diff --git a/pybamm/models/submodels/interface/base_interface.py b/pybamm/models/submodels/interface/base_interface.py
index a6ed54dbd5..75f9346cdf 100644
--- a/pybamm/models/submodels/interface/base_interface.py
+++ b/pybamm/models/submodels/interface/base_interface.py
@@ -25,16 +25,19 @@ def __init__(self, param, domain, reaction):
super().__init__(param, domain)
if reaction == "lithium-ion main":
self.reaction_name = "" # empty reaction name for the main reaction
+ self.Reaction_icd = "Interfacial current density"
elif reaction == "lead-acid main":
self.reaction_name = "" # empty reaction name for the main reaction
+ self.Reaction_icd = "Interfacial current density"
elif reaction == "lead-acid oxygen":
self.reaction_name = " oxygen"
+ self.Reaction_icd = "Oxygen interfacial current density"
elif reaction == "lithium-ion oxygen":
self.reaction_name = " oxygen"
+ self.Reaction_icd = "Oxygen interfacial current density"
elif reaction == "sei":
self.reaction_name = " sei"
- else:
- raise ValueError("Reaction name '{}' not recognized".format(reaction))
+ self.Reaction_icd = "Sei interfacial current density"
self.reaction = reaction
def _get_exchange_current_density(self, variables):
@@ -316,26 +319,13 @@ def _get_standard_whole_cell_interfacial_current_variables(self, variables):
j = pybamm.Concatenation(j_n, j_s, j_p)
j_dim = pybamm.Concatenation(j_n_scale * j_n, j_s, j_p_scale * j_p)
- if self.reaction_name == "":
- variables.update(
- {
- "Interfacial current density": j,
- "Interfacial current density [A.m-2]": j_dim,
- "Interfacial current density per volume [A.m-3]": i_typ / L_x * j,
- }
- )
- else:
- reaction_name = self.reaction_name[1:].capitalize()
- variables.update(
- {
- reaction_name + " interfacial current density": j,
- reaction_name + " interfacial current density [A.m-2]": j_dim,
- reaction_name
- + " interfacial current density per volume [A.m-3]": i_typ
- / L_x
- * j,
- }
- )
+ variables.update(
+ {
+ self.Reaction_icd: j,
+ self.Reaction_icd + " [A.m-2]": j_dim,
+ self.Reaction_icd + " per volume [A.m-3]": i_typ / L_x * j,
+ }
+ )
s_n, s_p = self._get_electrolyte_reaction_signed_stoichiometry()
s = pybamm.Concatenation(
diff --git a/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py b/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
index 59698ff531..fe084c068d 100644
--- a/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
+++ b/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
@@ -143,6 +143,7 @@ def get_coupled_variables(self, variables):
+ self.reaction_name
+ " interfacial current density"
in variables
+ and self.Reaction_icd not in variables
):
variables.update(
self._get_standard_whole_cell_interfacial_current_variables(variables)
diff --git a/pybamm/models/submodels/interface/kinetics/base_kinetics.py b/pybamm/models/submodels/interface/kinetics/base_kinetics.py
index 1f67c28629..f6c79ee968 100644
--- a/pybamm/models/submodels/interface/kinetics/base_kinetics.py
+++ b/pybamm/models/submodels/interface/kinetics/base_kinetics.py
@@ -42,7 +42,12 @@ def get_fundamental_variables(self):
auxiliary_domains={"secondary": "current collector"},
)
- variables = self._get_standard_interfacial_current_variables(j)
+ variables = {
+ self.domain
+ + " electrode"
+ + self.reaction_name
+ + " interfacial current density variable": j
+ }
return variables
else:
return {}
@@ -71,7 +76,9 @@ def get_coupled_variables(self, variables):
L_sei = variables[
"Total " + self.domain.lower() + " electrode sei thickness"
]
- j = variables[self.domain + " electrode interfacial current density"]
+ j = variables[
+ self.domain + " electrode interfacial current density variable"
+ ]
eta_r -= j * L_sei * pybamm.sei_parameters.R_sei
elif self.options["sei film resistance"] == "average":
L_sei = variables[
@@ -91,15 +98,7 @@ def get_coupled_variables(self, variables):
# found by solving an algebraic equation
# (In the "distributed SEI resistance" model, we have already defined j)
j = self._get_kinetics(j0, ne, eta_r, T)
- if (
- self.options["sei film resistance"] == "distributed"
- and "main" in self.reaction
- ):
- variables.update(
- {self.domain + " electrode" + self.reaction_name + " reaction term": j}
- )
- else:
- variables.update(self._get_standard_interfacial_current_variables(j))
+ variables.update(self._get_standard_interfacial_current_variables(j))
variables.update(
self._get_standard_total_interfacial_current_variables(j_tot_av)
@@ -115,6 +114,7 @@ def get_coupled_variables(self, variables):
+ self.reaction_name
+ " interfacial current density"
in variables
+ and self.Reaction_icd not in variables
):
variables.update(
self._get_standard_whole_cell_interfacial_current_variables(variables)
@@ -130,17 +130,20 @@ def set_algebraic(self, variables):
self.options["sei film resistance"] == "distributed"
and "main" in self.reaction
):
+ j_var = variables[
+ self.domain
+ + " electrode"
+ + self.reaction_name
+ + " interfacial current density variable"
+ ]
j = variables[
self.domain
+ " electrode"
+ self.reaction_name
+ " interfacial current density"
]
- reaction = variables[
- self.domain + " electrode" + self.reaction_name + " reaction term"
- ]
- # Algebraic equation to set j equal to the reaction term
- self.algebraic[j] = j - reaction
+ # Algebraic equation to set the variable j_var equal to the reaction term j
+ self.algebraic[j_var] = j_var - j
def set_initial_conditions(self, variables):
if (
@@ -148,18 +151,18 @@ def set_initial_conditions(self, variables):
and "main" in self.reaction
):
param = self.param
- j = variables[
+ j_var = variables[
self.domain
+ " electrode"
+ self.reaction_name
- + " interfacial current density"
+ + " interfacial current density variable"
]
if self.domain == "Negative":
j_av_init = param.current_with_time / param.l_n
elif self.domain == "Positive":
j_av_init = -param.current_with_time / param.l_p
- self.initial_conditions[j] = j_av_init
+ self.initial_conditions[j_var] = j_av_init
def _get_dj_dc(self, variables):
"""
diff --git a/pybamm/models/submodels/interface/sei/constant_sei.py b/pybamm/models/submodels/interface/sei/constant_sei.py
index 61af717dd4..e12a9ce43e 100644
--- a/pybamm/models/submodels/interface/sei/constant_sei.py
+++ b/pybamm/models/submodels/interface/sei/constant_sei.py
@@ -44,6 +44,7 @@ def get_coupled_variables(self, variables):
if (
"Negative electrode sei interfacial current density" in variables
and "Positive electrode sei interfacial current density" in variables
+ and "Sei interfacial current density" not in variables
):
variables.update(
self._get_standard_whole_cell_interfacial_current_variables(variables)
diff --git a/pybamm/models/submodels/interface/sei/electron_migration_limited.py b/pybamm/models/submodels/interface/sei/electron_migration_limited.py
index fbc6ba9467..9d76dd80e3 100644
--- a/pybamm/models/submodels/interface/sei/electron_migration_limited.py
+++ b/pybamm/models/submodels/interface/sei/electron_migration_limited.py
@@ -50,6 +50,7 @@ def get_coupled_variables(self, variables):
if (
"Negative electrode sei interfacial current density" in variables
and "Positive electrode sei interfacial current density" in variables
+ and "Sei interfacial current density" not in variables
):
variables.update(
self._get_standard_whole_cell_interfacial_current_variables(variables)
diff --git a/pybamm/models/submodels/interface/sei/interstitial_diffusion_limited.py b/pybamm/models/submodels/interface/sei/interstitial_diffusion_limited.py
index 0b2b1e68dc..9e15caa522 100644
--- a/pybamm/models/submodels/interface/sei/interstitial_diffusion_limited.py
+++ b/pybamm/models/submodels/interface/sei/interstitial_diffusion_limited.py
@@ -50,6 +50,7 @@ def get_coupled_variables(self, variables):
if (
"Negative electrode sei interfacial current density" in variables
and "Positive electrode sei interfacial current density" in variables
+ and "Sei interfacial current density" not in variables
):
variables.update(
self._get_standard_whole_cell_interfacial_current_variables(variables)
diff --git a/pybamm/models/submodels/interface/sei/no_sei.py b/pybamm/models/submodels/interface/sei/no_sei.py
index 17d659dacc..b23b951210 100644
--- a/pybamm/models/submodels/interface/sei/no_sei.py
+++ b/pybamm/models/submodels/interface/sei/no_sei.py
@@ -34,6 +34,7 @@ def get_coupled_variables(self, variables):
if (
"Negative electrode sei interfacial current density" in variables
and "Positive electrode sei interfacial current density" in variables
+ and "Sei interfacial current density" not in variables
):
variables.update(
self._get_standard_whole_cell_interfacial_current_variables(variables)
diff --git a/pybamm/models/submodels/interface/sei/reaction_limited.py b/pybamm/models/submodels/interface/sei/reaction_limited.py
index b8a43d7bad..89a250949b 100644
--- a/pybamm/models/submodels/interface/sei/reaction_limited.py
+++ b/pybamm/models/submodels/interface/sei/reaction_limited.py
@@ -65,6 +65,7 @@ def get_coupled_variables(self, variables):
if (
"Negative electrode sei interfacial current density" in variables
and "Positive electrode sei interfacial current density" in variables
+ and "Sei interfacial current density" not in variables
):
variables.update(
self._get_standard_whole_cell_interfacial_current_variables(variables)
diff --git a/pybamm/models/submodels/interface/sei/solvent_diffusion_limited.py b/pybamm/models/submodels/interface/sei/solvent_diffusion_limited.py
index 6d7b3bd8cf..a1e638ba34 100644
--- a/pybamm/models/submodels/interface/sei/solvent_diffusion_limited.py
+++ b/pybamm/models/submodels/interface/sei/solvent_diffusion_limited.py
@@ -48,6 +48,7 @@ def get_coupled_variables(self, variables):
if (
"Negative electrode sei interfacial current density" in variables
and "Positive electrode sei interfacial current density" in variables
+ and "Sei interfacial current density" not in variables
):
variables.update(
self._get_standard_whole_cell_interfacial_current_variables(variables)
diff --git a/pybamm/parameters/standard_parameters_lithium_ion.py b/pybamm/parameters/standard_parameters_lithium_ion.py
index 2f7608ea4e..12dcd308e3 100644
--- a/pybamm/parameters/standard_parameters_lithium_ion.py
+++ b/pybamm/parameters/standard_parameters_lithium_ion.py
@@ -253,7 +253,8 @@ def U_p_dimensional(sto, T):
tau_r_p = F * c_p_max / (j0_p_ref_dimensional * a_p_dim)
# Electrolyte diffusion timescale
-tau_diffusion_e = L_x ** 2 / D_e_dimensional(c_e_typ, T_ref)
+D_e_typ = D_e_dimensional(c_e_typ, T_ref)
+tau_diffusion_e = L_x ** 2 / D_e_typ
# Particle diffusion timescales
tau_diffusion_n = R_n ** 2 / D_n_dimensional(pybamm.Scalar(1), T_ref)
@@ -434,13 +435,13 @@ def D_e(c_e, T):
"Dimensionless electrolyte diffusivity"
c_e_dimensional = c_e * c_e_typ
T_dim = Delta_T * T + T_ref
- return D_e_dimensional(c_e_dimensional, T_dim) / D_e_dimensional(c_e_typ, T_ref)
+ return D_e_dimensional(c_e_dimensional, T_dim) / D_e_typ
def kappa_e(c_e, T):
"Dimensionless electrolyte conductivity"
c_e_dimensional = c_e * c_e_typ
- kappa_scale = F ** 2 * D_e_dimensional(c_e_typ, T_ref) * c_e_typ / (R * T_ref)
+ kappa_scale = F ** 2 * D_e_typ * c_e_typ / (R * T_ref)
T_dim = Delta_T * T + T_ref
return kappa_e_dimensional(c_e_dimensional, T_dim) / kappa_scale
diff --git a/tests/integration/test_models/test_full_battery_models/test_lithium_ion/test_dfn.py b/tests/integration/test_models/test_full_battery_models/test_lithium_ion/test_dfn.py
index 2053f56798..8bfe950786 100644
--- a/tests/integration/test_models/test_full_battery_models/test_lithium_ion/test_dfn.py
+++ b/tests/integration/test_models/test_full_battery_models/test_lithium_ion/test_dfn.py
@@ -130,6 +130,12 @@ def test_well_posed_reaction_limited(self):
modeltest = tests.StandardModelTest(model)
modeltest.test_all()
+ def test_well_posed_reaction_limited_average_film_resistance(self):
+ options = {"sei": "reaction limited", "sei film resistance": "average"}
+ model = pybamm.lithium_ion.DFN(options)
+ modeltest = tests.StandardModelTest(model)
+ modeltest.test_all()
+
def test_well_posed_solvent_diffusion_limited(self):
options = {"sei": "solvent-diffusion limited"}
model = pybamm.lithium_ion.DFN(options)
diff --git a/tests/unit/test_models/test_full_battery_models/test_lithium_ion/test_dfn.py b/tests/unit/test_models/test_full_battery_models/test_lithium_ion/test_dfn.py
index 869e489254..a4d201b8a8 100644
--- a/tests/unit/test_models/test_full_battery_models/test_lithium_ion/test_dfn.py
+++ b/tests/unit/test_models/test_full_battery_models/test_lithium_ion/test_dfn.py
@@ -124,6 +124,11 @@ def test_well_posed_reaction_limited(self):
model = pybamm.lithium_ion.DFN(options)
model.check_well_posedness()
+ def test_well_posed_reaction_limited_average_film_resistance(self):
+ options = {"sei": "reaction limited", "sei film resistance": "average"}
+ model = pybamm.lithium_ion.DFN(options)
+ model.check_well_posedness()
+
def test_well_posed_solvent_diffusion_limited(self):
options = {"sei": "solvent-diffusion limited"}
model = pybamm.lithium_ion.DFN(options)
From 09c9f95f2b10b8ea45727aeed6bfbdb3c4387f1b Mon Sep 17 00:00:00 2001
From: Valentin Sulzer <valentinsulzer@hotmail.com>
Date: Wed, 13 May 2020 21:50:52 -0400
Subject: [PATCH 05/15] #984 fix tests
---
examples/notebooks/using-submodels.ipynb | 173 +++++++++++-------
.../{sei_growth.py => calendar_ageing.py} | 7 +-
examples/scripts/compare_lead_acid.py | 4 +
examples/scripts/custom_model.py | 12 ++
.../full_battery_models/lead_acid/loqs.py | 4 +-
.../inverse_kinetics/inverse_butler_volmer.py | 4 +-
.../test_models/standard_output_tests.py | 16 +-
7 files changed, 138 insertions(+), 82 deletions(-)
rename examples/scripts/{sei_growth.py => calendar_ageing.py} (90%)
diff --git a/examples/notebooks/using-submodels.ipynb b/examples/notebooks/using-submodels.ipynb
index ac6fc3d902..8bf2043c93 100644
--- a/examples/notebooks/using-submodels.ipynb
+++ b/examples/notebooks/using-submodels.ipynb
@@ -40,26 +40,7 @@
"cell_type": "code",
"execution_count": 2,
"metadata": {},
- "outputs": [
- {
- "ename": "DomainError",
- "evalue": "Primary broadcast from current collector domain must be to electrode\n or separator",
- "output_type": "error",
- "traceback": [
- "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
- "\u001b[0;31mDomainError\u001b[0m Traceback (most recent call last)",
- "\u001b[0;32m<ipython-input-2-64212570b990>\u001b[0m in \u001b[0;36m<module>\u001b[0;34m\u001b[0m\n\u001b[0;32m----> 1\u001b[0;31m \u001b[0mmodel\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mpybamm\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mlithium_ion\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mSPM\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m",
- "\u001b[0;32m~/Documents/Energy_storage/PyBaMM/pybamm/models/full_battery_models/lithium_ion/spm.py\u001b[0m in \u001b[0;36m__init__\u001b[0;34m(self, options, name, build)\u001b[0m\n\u001b[1;32m 46\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m 47\u001b[0m \u001b[0;32mif\u001b[0m \u001b[0mbuild\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m---> 48\u001b[0;31m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mbuild_model\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m 49\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m 50\u001b[0m \u001b[0;32mdef\u001b[0m \u001b[0mset_porosity_submodel\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mself\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
- "\u001b[0;32m~/Documents/Energy_storage/PyBaMM/pybamm/models/full_battery_models/base_battery_model.py\u001b[0m in \u001b[0;36mbuild_model\u001b[0;34m(self)\u001b[0m\n\u001b[1;32m 493\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mbuild_fundamental_and_external\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m 494\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 495\u001b[0;31m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mbuild_coupled_variables\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m 496\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m 497\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mbuild_model_equations\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
- "\u001b[0;32m~/Documents/Energy_storage/PyBaMM/pybamm/models/full_battery_models/base_battery_model.py\u001b[0m in \u001b[0;36mbuild_coupled_variables\u001b[0;34m(self)\u001b[0m\n\u001b[1;32m 425\u001b[0m \u001b[0;32mtry\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m 426\u001b[0m self.variables.update(\n\u001b[0;32m--> 427\u001b[0;31m \u001b[0msubmodel\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mget_coupled_variables\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mvariables\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m 428\u001b[0m )\n\u001b[1;32m 429\u001b[0m \u001b[0msubmodels\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mremove\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0msubmodel_name\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
- "\u001b[0;32m~/Documents/Energy_storage/PyBaMM/pybamm/models/submodels/particle/fickian/fickian_single_particle.py\u001b[0m in \u001b[0;36mget_coupled_variables\u001b[0;34m(self, variables)\u001b[0m\n\u001b[1;32m 44\u001b[0m T_k_xav = pybamm.PrimaryBroadcast(\n\u001b[1;32m 45\u001b[0m \u001b[0mvariables\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0;34m\"X-averaged \"\u001b[0m \u001b[0;34m+\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mdomain\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mlower\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m \u001b[0;34m+\u001b[0m \u001b[0;34m\" electrode temperature\"\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m---> 46\u001b[0;31m \u001b[0;34m[\u001b[0m\u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mdomain\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mlower\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m \u001b[0;34m+\u001b[0m \u001b[0;34m\" particle\"\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m 47\u001b[0m )\n\u001b[1;32m 48\u001b[0m \u001b[0mN_s_xav\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m_flux_law\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mc_s_xav\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mT_k_xav\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
- "\u001b[0;32m~/Documents/Energy_storage/PyBaMM/pybamm/expression_tree/broadcasts.py\u001b[0m in \u001b[0;36m__init__\u001b[0;34m(self, child, broadcast_domain, name)\u001b[0m\n\u001b[1;32m 85\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m 86\u001b[0m \u001b[0;32mdef\u001b[0m \u001b[0m__init__\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mself\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mchild\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mbroadcast_domain\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mname\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0;32mNone\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m---> 87\u001b[0;31m \u001b[0msuper\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0m__init__\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mchild\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mbroadcast_domain\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mbroadcast_type\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0;34m\"primary\"\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mname\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0mname\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m 88\u001b[0m \u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m 89\u001b[0m def check_and_set_domains(\n",
- "\u001b[0;32m~/Documents/Energy_storage/PyBaMM/pybamm/expression_tree/broadcasts.py\u001b[0m in \u001b[0;36m__init__\u001b[0;34m(self, child, broadcast_domain, broadcast_auxiliary_domains, broadcast_type, name)\u001b[0m\n\u001b[1;32m 53\u001b[0m \u001b[0;31m# perform some basic checks and set attributes\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m 54\u001b[0m domain, auxiliary_domains = self.check_and_set_domains(\n\u001b[0;32m---> 55\u001b[0;31m \u001b[0mchild\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mbroadcast_type\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mbroadcast_domain\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mbroadcast_auxiliary_domains\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m 56\u001b[0m )\n\u001b[1;32m 57\u001b[0m \u001b[0mself\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mbroadcast_type\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mbroadcast_type\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
- "\u001b[0;32m~/Documents/Energy_storage/PyBaMM/pybamm/expression_tree/broadcasts.py\u001b[0m in \u001b[0;36mcheck_and_set_domains\u001b[0;34m(self, child, broadcast_type, broadcast_domain, broadcast_auxiliary_domains)\u001b[0m\n\u001b[1;32m 102\u001b[0m raise pybamm.DomainError(\n\u001b[1;32m 103\u001b[0m \"\"\"Primary broadcast from current collector domain must be to electrode\n\u001b[0;32m--> 104\u001b[0;31m or separator\"\"\"\n\u001b[0m\u001b[1;32m 105\u001b[0m )\n\u001b[1;32m 106\u001b[0m elif child.domain[0] in [\n",
- "\u001b[0;31mDomainError\u001b[0m: Primary broadcast from current collector domain must be to electrode\n or separator"
- ]
- }
- ],
+ "outputs": [],
"source": [
"model = pybamm.lithium_ion.SPM()"
]
@@ -73,28 +54,35 @@
},
{
"cell_type": "code",
- "execution_count": null,
+ "execution_count": 3,
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
- "external circuit <pybamm.models.submodels.external_circuit.current_control_external_circuit.CurrentControl object at 0x13674b310>\n",
- "porosity <pybamm.models.submodels.porosity.constant_porosity.Constant object at 0x13615a850>\n",
- "electrolyte tortuosity <pybamm.models.submodels.tortuosity.bruggeman_tortuosity.Bruggeman object at 0x13674b610>\n",
- "electrode tortuosity <pybamm.models.submodels.tortuosity.bruggeman_tortuosity.Bruggeman object at 0x13615a250>\n",
- "convection <pybamm.models.submodels.convection.no_convection.NoConvection object at 0x1367f2e50>\n",
- "negative interface <pybamm.models.submodels.interface.inverse_kinetics.inverse_butler_volmer.InverseButlerVolmer object at 0x1367f2c90>\n",
- "positive interface <pybamm.models.submodels.interface.inverse_kinetics.inverse_butler_volmer.InverseButlerVolmer object at 0x1355c46d0>\n",
- "negative particle <pybamm.models.submodels.particle.fickian_single_particle.FickianSingleParticle object at 0x1367e71d0>\n",
- "positive particle <pybamm.models.submodels.particle.fickian_single_particle.FickianSingleParticle object at 0x1367f2ed0>\n",
- "negative electrode <pybamm.models.submodels.electrode.ohm.leading_ohm.LeadingOrder object at 0x1367f2e90>\n",
- "leading-order electrolyte conductivity <pybamm.models.submodels.electrolyte_conductivity.leading_order_conductivity.LeadingOrder object at 0x1363dd590>\n",
- "electrolyte diffusion <pybamm.models.submodels.electrolyte_diffusion.constant_concentration.ConstantConcentration object at 0x1367f2e10>\n",
- "positive electrode <pybamm.models.submodels.electrode.ohm.leading_ohm.LeadingOrder object at 0x1360b9890>\n",
- "thermal <pybamm.models.submodels.thermal.isothermal.isothermal.Isothermal object at 0x1367f2f10>\n",
- "current collector <pybamm.models.submodels.current_collector.homogeneous_current_collector.Uniform object at 0x136336e10>\n"
+ "external circuit <pybamm.models.submodels.external_circuit.current_control_external_circuit.CurrentControl object at 0x13e3106d0>\n",
+ "porosity <pybamm.models.submodels.porosity.constant_porosity.Constant object at 0x13e327110>\n",
+ "electrolyte tortuosity <pybamm.models.submodels.tortuosity.bruggeman_tortuosity.Bruggeman object at 0x13e310510>\n",
+ "electrode tortuosity <pybamm.models.submodels.tortuosity.bruggeman_tortuosity.Bruggeman object at 0x13e327390>\n",
+ "through-cell convection <pybamm.models.submodels.convection.through_cell.no_convection.NoConvection object at 0x13e327490>\n",
+ "transverse convection <pybamm.models.submodels.convection.transverse.no_convection.NoConvection object at 0x13e27c090>\n",
+ "negative interface <pybamm.models.submodels.interface.inverse_kinetics.inverse_butler_volmer.InverseButlerVolmer object at 0x13e327650>\n",
+ "positive interface <pybamm.models.submodels.interface.inverse_kinetics.inverse_butler_volmer.InverseButlerVolmer object at 0x13e327710>\n",
+ "negative interface current <pybamm.models.submodels.interface.inverse_kinetics.inverse_butler_volmer.CurrentForInverseButlerVolmer object at 0x13e327810>\n",
+ "positive interface current <pybamm.models.submodels.interface.inverse_kinetics.inverse_butler_volmer.CurrentForInverseButlerVolmer object at 0x13dc80950>\n",
+ "negative oxygen interface <pybamm.models.submodels.interface.kinetics.no_reaction.NoReaction object at 0x13e327950>\n",
+ "positive oxygen interface <pybamm.models.submodels.interface.kinetics.no_reaction.NoReaction object at 0x111501390>\n",
+ "negative particle <pybamm.models.submodels.particle.fickian_single_particle.FickianSingleParticle object at 0x111504050>\n",
+ "positive particle <pybamm.models.submodels.particle.fickian_single_particle.FickianSingleParticle object at 0x1114f5410>\n",
+ "negative electrode <pybamm.models.submodels.electrode.ohm.leading_ohm.LeadingOrder object at 0x13df0ac10>\n",
+ "leading-order electrolyte conductivity <pybamm.models.submodels.electrolyte_conductivity.leading_order_conductivity.LeadingOrder object at 0x13dc80190>\n",
+ "electrolyte diffusion <pybamm.models.submodels.electrolyte_diffusion.constant_concentration.ConstantConcentration object at 0x13e327a10>\n",
+ "positive electrode <pybamm.models.submodels.electrode.ohm.leading_ohm.LeadingOrder object at 0x13e327b10>\n",
+ "thermal <pybamm.models.submodels.thermal.isothermal.Isothermal object at 0x13e327c10>\n",
+ "current collector <pybamm.models.submodels.current_collector.homogeneous_current_collector.Uniform object at 0x13e327d10>\n",
+ "negative sei <pybamm.models.submodels.interface.sei.no_sei.NoSEI object at 0x13e327ed0>\n",
+ "positive sei <pybamm.models.submodels.interface.sei.no_sei.NoSEI object at 0x13e09d9d0>\n"
]
}
],
@@ -112,7 +100,7 @@
},
{
"cell_type": "code",
- "execution_count": null,
+ "execution_count": 4,
"metadata": {},
"outputs": [],
"source": [
@@ -128,7 +116,7 @@
},
{
"cell_type": "code",
- "execution_count": null,
+ "execution_count": 5,
"metadata": {},
"outputs": [],
"source": [
@@ -144,28 +132,35 @@
},
{
"cell_type": "code",
- "execution_count": null,
+ "execution_count": 6,
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
- "external circuit <pybamm.models.submodels.external_circuit.current_control_external_circuit.CurrentControl object at 0x136d34190>\n",
- "porosity <pybamm.models.submodels.porosity.constant_porosity.Constant object at 0x136d34250>\n",
- "electrolyte tortuosity <pybamm.models.submodels.tortuosity.bruggeman_tortuosity.Bruggeman object at 0x136d34310>\n",
- "electrode tortuosity <pybamm.models.submodels.tortuosity.bruggeman_tortuosity.Bruggeman object at 0x136d343d0>\n",
- "convection <pybamm.models.submodels.convection.no_convection.NoConvection object at 0x136d34410>\n",
- "negative interface <pybamm.models.submodels.interface.inverse_kinetics.inverse_butler_volmer.InverseButlerVolmer object at 0x136d34450>\n",
- "positive interface <pybamm.models.submodels.interface.inverse_kinetics.inverse_butler_volmer.InverseButlerVolmer object at 0x136d34490>\n",
- "negative particle <pybamm.models.submodels.particle.fast_single_particle.FastSingleParticle object at 0x1367f2e10>\n",
- "positive particle <pybamm.models.submodels.particle.fickian_single_particle.FickianSingleParticle object at 0x136d34510>\n",
- "negative electrode <pybamm.models.submodels.electrode.ohm.leading_ohm.LeadingOrder object at 0x136d34550>\n",
- "leading-order electrolyte conductivity <pybamm.models.submodels.electrolyte_conductivity.leading_order_conductivity.LeadingOrder object at 0x136d34590>\n",
- "electrolyte diffusion <pybamm.models.submodels.electrolyte_diffusion.constant_concentration.ConstantConcentration object at 0x136d345d0>\n",
- "positive electrode <pybamm.models.submodels.electrode.ohm.leading_ohm.LeadingOrder object at 0x136d34610>\n",
- "thermal <pybamm.models.submodels.thermal.isothermal.isothermal.Isothermal object at 0x136d34650>\n",
- "current collector <pybamm.models.submodels.current_collector.homogeneous_current_collector.Uniform object at 0x136d34690>\n"
+ "external circuit <pybamm.models.submodels.external_circuit.current_control_external_circuit.CurrentControl object at 0x13e80c550>\n",
+ "porosity <pybamm.models.submodels.porosity.constant_porosity.Constant object at 0x13e80c710>\n",
+ "electrolyte tortuosity <pybamm.models.submodels.tortuosity.bruggeman_tortuosity.Bruggeman object at 0x13e80c990>\n",
+ "electrode tortuosity <pybamm.models.submodels.tortuosity.bruggeman_tortuosity.Bruggeman object at 0x13e80cd10>\n",
+ "through-cell convection <pybamm.models.submodels.convection.through_cell.no_convection.NoConvection object at 0x13e80ce50>\n",
+ "transverse convection <pybamm.models.submodels.convection.transverse.no_convection.NoConvection object at 0x13e80cb50>\n",
+ "negative interface <pybamm.models.submodels.interface.inverse_kinetics.inverse_butler_volmer.InverseButlerVolmer object at 0x13e80c750>\n",
+ "positive interface <pybamm.models.submodels.interface.inverse_kinetics.inverse_butler_volmer.InverseButlerVolmer object at 0x13e81d050>\n",
+ "negative interface current <pybamm.models.submodels.interface.inverse_kinetics.inverse_butler_volmer.CurrentForInverseButlerVolmer object at 0x13e81d150>\n",
+ "positive interface current <pybamm.models.submodels.interface.inverse_kinetics.inverse_butler_volmer.CurrentForInverseButlerVolmer object at 0x13e81d250>\n",
+ "negative oxygen interface <pybamm.models.submodels.interface.kinetics.no_reaction.NoReaction object at 0x13e81d350>\n",
+ "positive oxygen interface <pybamm.models.submodels.interface.kinetics.no_reaction.NoReaction object at 0x13e81d450>\n",
+ "negative particle <pybamm.models.submodels.particle.fast_single_particle.FastSingleParticle object at 0x13dc80d10>\n",
+ "positive particle <pybamm.models.submodels.particle.fickian_single_particle.FickianSingleParticle object at 0x13e81d650>\n",
+ "negative electrode <pybamm.models.submodels.electrode.ohm.leading_ohm.LeadingOrder object at 0x13e81d750>\n",
+ "leading-order electrolyte conductivity <pybamm.models.submodels.electrolyte_conductivity.leading_order_conductivity.LeadingOrder object at 0x13e81d850>\n",
+ "electrolyte diffusion <pybamm.models.submodels.electrolyte_diffusion.constant_concentration.ConstantConcentration object at 0x13e81d950>\n",
+ "positive electrode <pybamm.models.submodels.electrode.ohm.leading_ohm.LeadingOrder object at 0x13e81da50>\n",
+ "thermal <pybamm.models.submodels.thermal.isothermal.Isothermal object at 0x13e81db50>\n",
+ "current collector <pybamm.models.submodels.current_collector.homogeneous_current_collector.Uniform object at 0x13e81dc50>\n",
+ "negative sei <pybamm.models.submodels.interface.sei.no_sei.NoSEI object at 0x13e81dd50>\n",
+ "positive sei <pybamm.models.submodels.interface.sei.no_sei.NoSEI object at 0x13e81de50>\n"
]
}
],
@@ -183,9 +178,20 @@
},
{
"cell_type": "code",
- "execution_count": null,
+ "execution_count": 7,
"metadata": {},
- "outputs": [],
+ "outputs": [
+ {
+ "data": {
+ "text/plain": [
+ "{}"
+ ]
+ },
+ "execution_count": 7,
+ "metadata": {},
+ "output_type": "execute_result"
+ }
+ ],
"source": [
"model.rhs"
]
@@ -199,7 +205,7 @@
},
{
"cell_type": "code",
- "execution_count": null,
+ "execution_count": 8,
"metadata": {},
"outputs": [],
"source": [
@@ -215,15 +221,15 @@
},
{
"cell_type": "code",
- "execution_count": null,
+ "execution_count": 9,
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
- "{Variable(0xed7452bed2f1969, Discharge capacity [A.h], children=[], domain=[], auxiliary_domains={}): Division(0x381d630aa1528443, /, children=['Current function [A] * 96485.33212 * Maximum concentration in negative electrode [mol.m-3] * Negative electrode thickness [m] + Separator thickness [m] + Positive electrode thickness [m] / function (absolute)', '3600.0'], domain=[], auxiliary_domains={}),\n",
- " Variable(0x5f6d314a2ae28139, X-averaged negative particle surface concentration, children=[], domain=['current collector'], auxiliary_domains={}): Division(-0x51e6c8f5bc31c548, /, children=['-3.0 * broadcast(Current function [A] / Typical current [A] * function (sign)) / Negative electrode thickness [m] / Negative electrode thickness [m] + Separator thickness [m] + Positive electrode thickness [m]', 'Negative electrode surface area to volume ratio [m-1] * Negative particle radius [m]'], domain=['current collector'], auxiliary_domains={}),\n",
- " Variable(0x25e9b81e826ecc78, X-averaged positive particle concentration, children=[], domain=['positive particle'], auxiliary_domains={'secondary': \"['current collector']\"}): Multiplication(0x2cd744f1f248da68, *, children=['-1.0 / Positive particle radius [m] ** 2.0 / Positive electrode diffusivity [m2.s-1] / 96485.33212 * Maximum concentration in negative electrode [mol.m-3] * Negative electrode thickness [m] + Separator thickness [m] + Positive electrode thickness [m] / function (absolute)', 'div(-Positive electrode diffusivity [m2.s-1] / Positive electrode diffusivity [m2.s-1] * grad(X-averaged positive particle concentration))'], domain=['positive particle'], auxiliary_domains={'secondary': \"['current collector']\"})}"
+ "{Variable(-0x4f68261d0a00d98b, Discharge capacity [A.h], children=[], domain=[], auxiliary_domains={}): Division(-0x1fe7fec2f8387d95, /, children=['Current function [A] * 96485.33212 * Maximum concentration in negative electrode [mol.m-3] * Negative electrode thickness [m] + Separator thickness [m] + Positive electrode thickness [m] / function (absolute)', '3600.0'], domain=[], auxiliary_domains={}),\n",
+ " Variable(0x3a35670ab4562c18, X-averaged negative particle surface concentration, children=[], domain=['current collector'], auxiliary_domains={}): Division(0x3ec3c463e3cd4a1b, /, children=[\"-3.0 * integral dx_n ['negative electrode'](broadcast(broadcast(Current function [A] / Typical current [A] * function (sign)) / Negative electrode thickness [m] / Negative electrode thickness [m] + Separator thickness [m] + Positive electrode thickness [m]) - broadcast(0.0) + broadcast(0.0)) / Negative electrode thickness [m] / Negative electrode thickness [m] + Separator thickness [m] + Positive electrode thickness [m]\", 'Negative electrode surface area to volume ratio [m-1] * Negative particle radius [m]'], domain=['current collector'], auxiliary_domains={}),\n",
+ " Variable(-0xa0b4a781ec8b92e, X-averaged positive particle concentration, children=[], domain=['positive particle'], auxiliary_domains={'secondary': \"['current collector']\"}): Multiplication(-0x2f5dd5cda9b83ae0, *, children=['-1.0 / Positive particle radius [m] ** 2.0 / Positive electrode diffusivity [m2.s-1] / 96485.33212 * Maximum concentration in negative electrode [mol.m-3] * Negative electrode thickness [m] + Separator thickness [m] + Positive electrode thickness [m] / function (absolute)', 'div(-Positive electrode diffusivity [m2.s-1] / Positive electrode diffusivity [m2.s-1] * grad(X-averaged positive particle concentration))'], domain=['positive particle'], auxiliary_domains={'secondary': \"['current collector']\"})}"
]
},
"execution_count": 9,
@@ -244,7 +250,7 @@
},
{
"cell_type": "code",
- "execution_count": null,
+ "execution_count": 10,
"metadata": {},
"outputs": [
{
@@ -302,7 +308,7 @@
},
{
"cell_type": "code",
- "execution_count": null,
+ "execution_count": 11,
"metadata": {},
"outputs": [],
"source": [
@@ -320,7 +326,7 @@
},
{
"cell_type": "code",
- "execution_count": null,
+ "execution_count": 12,
"metadata": {},
"outputs": [],
"source": [
@@ -390,7 +396,7 @@
"cell_type": "markdown",
"metadata": {},
"source": [
- "In the Single Particle Model, the overpotential can be obtianed by inverting the Butler-Volmer relation, so we choose the `InverseButlerVolmer` submodel for the interface, with the \"main\" lithium-ion reaction"
+ "In the Single Particle Model, the overpotential can be obtianed by inverting the Butler-Volmer relation, so we choose the `InverseButlerVolmer` submodel for the interface, with the \"main\" lithium-ion reaction. Because of how the current is implemented, we also need to separately specify the `CurrentForInverseButlerVolmer` submodel"
]
},
{
@@ -404,14 +410,24 @@
"] = pybamm.interface.InverseButlerVolmer(model.param, \"Negative\", \"lithium-ion main\")\n",
"model.submodels[\n",
" \"positive interface\"\n",
- "] = pybamm.interface.InverseButlerVolmer(model.param, \"Positive\", \"lithium-ion main\")\n"
+ "] = pybamm.interface.InverseButlerVolmer(model.param, \"Positive\", \"lithium-ion main\")\n",
+ "model.submodels[\n",
+ " \"negative interface current\"\n",
+ "] = pybamm.interface.CurrentForInverseButlerVolmer(\n",
+ " model.param, \"Negative\", \"lithium-ion main\"\n",
+ ")\n",
+ "model.submodels[\n",
+ " \"positive interface current\"\n",
+ "] = pybamm.interface.CurrentForInverseButlerVolmer(\n",
+ " model.param, \"Positive\", \"lithium-ion main\"\n",
+ ")"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
- "Finally, for the electrolyte we assume that diffusion is infinitely fast so that the concentration is uniform, and also use the leading-order model for charge conservation, which leads to a linear variation in ionic current in the electrodes"
+ "We don't want any SEI formation in this model"
]
},
{
@@ -419,6 +435,23 @@
"execution_count": 17,
"metadata": {},
"outputs": [],
+ "source": [
+ "model.submodels[\"negative sei\"] = pybamm.sei.NoSEI(model.param, \"Negative\")\n",
+ "model.submodels[\"positive sei\"] = pybamm.sei.NoSEI(model.param, \"Positive\")"
+ ]
+ },
+ {
+ "cell_type": "markdown",
+ "metadata": {},
+ "source": [
+ "Finally, for the electrolyte we assume that diffusion is infinitely fast so that the concentration is uniform, and also use the leading-order model for charge conservation, which leads to a linear variation in ionic current in the electrodes"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "execution_count": 18,
+ "metadata": {},
+ "outputs": [],
"source": [
"model.submodels[\"electrolyte diffusion\"] = pybamm.electrolyte_diffusion.ConstantConcentration(\n",
" model.param\n",
@@ -437,7 +470,7 @@
},
{
"cell_type": "code",
- "execution_count": 18,
+ "execution_count": 19,
"metadata": {},
"outputs": [],
"source": [
@@ -453,7 +486,7 @@
},
{
"cell_type": "code",
- "execution_count": 19,
+ "execution_count": 20,
"metadata": {},
"outputs": [],
"source": [
@@ -469,7 +502,7 @@
},
{
"cell_type": "code",
- "execution_count": 20,
+ "execution_count": 21,
"metadata": {},
"outputs": [
{
diff --git a/examples/scripts/sei_growth.py b/examples/scripts/calendar_ageing.py
similarity index 90%
rename from examples/scripts/sei_growth.py
rename to examples/scripts/calendar_ageing.py
index 0391bef490..bd591742aa 100644
--- a/examples/scripts/sei_growth.py
+++ b/examples/scripts/calendar_ageing.py
@@ -6,12 +6,7 @@
models = [
pb.lithium_ion.SPM({"sei": "reaction limited"}),
pb.lithium_ion.SPM(
- {
- "sei": "reaction limited",
- # "sei film resistance": "average",
- "surface form": "algebraic",
- },
- name="Algebraic SPM",
+ {"sei": "reaction limited", "surface form": "algebraic"}, name="Algebraic SPM",
),
pb.lithium_ion.DFN({"sei": "reaction limited"}),
]
diff --git a/examples/scripts/compare_lead_acid.py b/examples/scripts/compare_lead_acid.py
index 9c3258f1fd..b81aaf8b5a 100644
--- 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/custom_model.py b/examples/scripts/custom_model.py
index 8d0879ae0e..ae8c042723 100644
--- 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/pybamm/models/full_battery_models/lead_acid/loqs.py b/pybamm/models/full_battery_models/lead_acid/loqs.py
index 97cafcb6e3..0bf88228a3 100644
--- a/pybamm/models/full_battery_models/lead_acid/loqs.py
+++ b/pybamm/models/full_battery_models/lead_acid/loqs.py
@@ -144,12 +144,12 @@ def set_interfacial_submodel(self):
self.submodels[
"negative interface current"
] = pybamm.interface.CurrentForInverseButlerVolmer(
- self.param, "Negative", "lithium-ion main"
+ self.param, "Negative", "lead-acid main"
)
self.submodels[
"positive interface current"
] = pybamm.interface.CurrentForInverseButlerVolmer(
- self.param, "Positive", "lithium-ion main"
+ self.param, "Positive", "lead-acid main"
)
else:
self.submodels[
diff --git a/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py b/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
index fe084c068d..8b1abcdb43 100644
--- a/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
+++ b/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
@@ -23,7 +23,7 @@ class InverseButlerVolmer(BaseInterface):
A dictionary of options to be passed to the model. In this case "sei film
resistance" is the important option. See :class:`pybamm.BaseBatteryModel`
- **Extends:** :class:`pybamm.interface.kinetics.ButlerVolmer`
+ **Extends:** :class:`pybamm.interface.BaseInterface`
"""
@@ -118,7 +118,7 @@ class CurrentForInverseButlerVolmer(BaseInterface):
reaction : str
The name of the reaction being implemented
- **Extends:** :class:`pybamm.interface.kinetics.ButlerVolmer`
+ **Extends:** :class:`pybamm.interface.BaseInterface`
"""
diff --git a/tests/integration/test_models/standard_output_tests.py b/tests/integration/test_models/standard_output_tests.py
index e1f44d97e9..5b09b36d46 100644
--- a/tests/integration/test_models/standard_output_tests.py
+++ b/tests/integration/test_models/standard_output_tests.py
@@ -530,6 +530,14 @@ def __init__(self, model, param, disc, solution, operating_condition):
self.j_p_av = solution[
"X-averaged positive electrode interfacial current density"
]
+ self.j_n_sei = solution["Negative electrode sei interfacial current density"]
+ self.j_p_sei = solution["Positive electrode sei interfacial current density"]
+ self.j_n_sei_av = solution[
+ "X-averaged negative electrode sei interfacial current density"
+ ]
+ self.j_p_sei_av = solution[
+ "X-averaged positive electrode sei interfacial current density"
+ ]
self.j0_n = solution["Negative electrode exchange current density"]
self.j0_p = solution["Positive electrode exchange current density"]
@@ -543,10 +551,14 @@ def test_interfacial_current_average(self):
"""Test that average of the interfacial current density is equal to the true
value."""
np.testing.assert_array_almost_equal(
- self.j_n_av(self.t), self.i_cell / self.l_n, decimal=4
+ self.j_n_av(self.t) + self.j_n_sei_av(self.t),
+ self.i_cell / self.l_n,
+ decimal=4,
)
np.testing.assert_array_almost_equal(
- self.j_p_av(self.t), -self.i_cell / self.l_p, decimal=4
+ self.j_p_av(self.t) + self.j_p_sei_av(self.t),
+ -self.i_cell / self.l_p,
+ decimal=4,
)
def test_conservation(self):
From c6888164d6457d9f0f3388d26e8cdc49e70f036a Mon Sep 17 00:00:00 2001
From: Valentin Sulzer <valentinsulzer@hotmail.com>
Date: Thu, 14 May 2020 09:50:49 -0400
Subject: [PATCH 06/15] #984 coverage
---
.../test_full_battery_models/test_lithium_ion/test_dfn.py | 6 ++++++
.../test_full_battery_models/test_lithium_ion/test_dfn.py | 5 +++++
.../test_interface/test_kinetics/test_tafel.py | 4 +++-
3 files changed, 14 insertions(+), 1 deletion(-)
diff --git a/tests/integration/test_models/test_full_battery_models/test_lithium_ion/test_dfn.py b/tests/integration/test_models/test_full_battery_models/test_lithium_ion/test_dfn.py
index 8bfe950786..313b338daa 100644
--- a/tests/integration/test_models/test_full_battery_models/test_lithium_ion/test_dfn.py
+++ b/tests/integration/test_models/test_full_battery_models/test_lithium_ion/test_dfn.py
@@ -124,6 +124,12 @@ def positive_distribution(x):
class TestDFNWithSEI(unittest.TestCase):
+ def test_well_posed_constant(self):
+ options = {"sei": "constant"}
+ model = pybamm.lithium_ion.DFN(options)
+ modeltest = tests.StandardModelTest(model)
+ modeltest.test_all()
+
def test_well_posed_reaction_limited(self):
options = {"sei": "reaction limited"}
model = pybamm.lithium_ion.DFN(options)
diff --git a/tests/unit/test_models/test_full_battery_models/test_lithium_ion/test_dfn.py b/tests/unit/test_models/test_full_battery_models/test_lithium_ion/test_dfn.py
index a4d201b8a8..53c7919b3a 100644
--- a/tests/unit/test_models/test_full_battery_models/test_lithium_ion/test_dfn.py
+++ b/tests/unit/test_models/test_full_battery_models/test_lithium_ion/test_dfn.py
@@ -119,6 +119,11 @@ def test_surface_form_algebraic(self):
class TestDFNWithSEI(unittest.TestCase):
+ def test_well_posed_constant(self):
+ options = {"sei": "constant"}
+ model = pybamm.lithium_ion.DFN(options)
+ model.check_well_posedness()
+
def test_well_posed_reaction_limited(self):
options = {"sei": "reaction limited"}
model = pybamm.lithium_ion.DFN(options)
diff --git a/tests/unit/test_models/test_submodels/test_interface/test_kinetics/test_tafel.py b/tests/unit/test_models/test_submodels/test_interface/test_kinetics/test_tafel.py
index bcbec88e76..2eacdf6be5 100644
--- a/tests/unit/test_models/test_submodels/test_interface/test_kinetics/test_tafel.py
+++ b/tests/unit/test_models/test_submodels/test_interface/test_kinetics/test_tafel.py
@@ -8,6 +8,7 @@
class TestTafel(unittest.TestCase):
def test_public_function(self):
+ # Test forward Tafel on the negative
param = pybamm.standard_parameters_lithium_ion
a_n = pybamm.FullBroadcast(
@@ -31,6 +32,7 @@ def test_public_function(self):
std_tests.test_all()
+ # Test backward Tafel on the positive
variables = {
"Current collector current density": a,
"Positive electrode potential": a_p,
@@ -56,7 +58,7 @@ def test_public_function(self):
"Sum of x-averaged negative electrode interfacial current densities": 0,
"Sum of x-averaged positive electrode interfacial current densities": 0,
}
- submodel = pybamm.interface.ForwardTafel(param, "Positive", "lithium-ion main")
+ submodel = pybamm.interface.BackwardTafel(param, "Positive", "lithium-ion main")
std_tests = tests.StandardSubModelTests(submodel, variables)
std_tests.test_all()
From 5a55dbdcab24f81e4b1be5054d54a9fafdf64b63 Mon Sep 17 00:00:00 2001
From: Valentin Sulzer <valentinsulzer@hotmail.com>
Date: Thu, 14 May 2020 13:42:14 -0400
Subject: [PATCH 07/15] #984 fix scalings
---
examples/scripts/calendar_ageing.py | 8 ++++++--
examples/scripts/create-model.py | 4 ++--
.../lithium-ion/seis/Example/parameters.csv | 2 +-
.../models/submodels/interface/base_interface.py | 8 ++++----
.../inverse_kinetics/inverse_butler_volmer.py | 9 ++++-----
.../models/submodels/interface/sei/base_sei.py | 16 ++++++++++------
.../submodels/interface/sei/reaction_limited.py | 4 +++-
7 files changed, 30 insertions(+), 21 deletions(-)
diff --git a/examples/scripts/calendar_ageing.py b/examples/scripts/calendar_ageing.py
index bd591742aa..b0bdf731b7 100644
--- a/examples/scripts/calendar_ageing.py
+++ b/examples/scripts/calendar_ageing.py
@@ -21,7 +21,7 @@
solver = pb.CasadiSolver(mode="fast")
- years = 3
+ years = 30
days = years * 365
hours = days * 24
minutes = hours * 60
@@ -42,7 +42,7 @@
"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 [mols]",
+ "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]",
@@ -51,6 +51,10 @@
"X-averaged negative electrode sei interfacial current density [A.m-2]",
"X-averaged negative electrode interfacial current density [A.m-2]",
],
+ [
+ "X-averaged negative electrode sei interfacial current density",
+ "X-averaged negative electrode interfacial current density",
+ ],
"Sum of x-averaged negative electrode interfacial current densities",
"Sum of negative electrode interfacial current densities",
"X-averaged electrolyte concentration",
diff --git a/examples/scripts/create-model.py b/examples/scripts/create-model.py
index 73b9161351..3b1d8c3467 100644
--- 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/pybamm/input/parameters/lithium-ion/seis/Example/parameters.csv b/pybamm/input/parameters/lithium-ion/seis/Example/parameters.csv
index 638b8d8aa3..63fe096c5f 100644
--- a/pybamm/input/parameters/lithium-ion/seis/Example/parameters.csv
+++ b/pybamm/input/parameters/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 resistivity [Ohm.m],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,
diff --git a/pybamm/models/submodels/interface/base_interface.py b/pybamm/models/submodels/interface/base_interface.py
index 75f9346cdf..408d0fbfbd 100644
--- a/pybamm/models/submodels/interface/base_interface.py
+++ b/pybamm/models/submodels/interface/base_interface.py
@@ -35,9 +35,9 @@ def __init__(self, param, domain, reaction):
elif reaction == "lithium-ion oxygen":
self.reaction_name = " oxygen"
self.Reaction_icd = "Oxygen interfacial current density"
- elif reaction == "sei":
- self.reaction_name = " sei"
- self.Reaction_icd = "Sei interfacial current density"
+ elif reaction == "scaled sei":
+ self.reaction_name = " scaled sei"
+ self.Reaction_icd = "Scaled sei interfacial current density"
self.reaction = reaction
def _get_exchange_current_density(self, variables):
@@ -175,7 +175,7 @@ def _get_number_of_electrons_in_reaction(self):
def _get_electrolyte_reaction_signed_stoichiometry(self):
"Returns the number of electrons in the reaction"
- if self.reaction in ["lithium-ion main", "sei"]:
+ if self.reaction in ["lithium-ion main", "scaled sei"]:
# Both the main reaction current contribute to the electrolyte reaction
# current
return pybamm.Scalar(1), pybamm.Scalar(1)
diff --git a/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py b/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
index 8b1abcdb43..6c78e32891 100644
--- a/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
+++ b/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
@@ -46,10 +46,7 @@ def get_coupled_variables(self, variables):
j_tot_av, [self.domain.lower() + " electrode"]
)
- if self.domain == "Negative":
- ne = self.param.ne_n
- elif self.domain == "Positive":
- ne = self.param.ne_p
+ ne = self._get_number_of_electrons_in_reaction()
# Note: T must have the same domain as j0 and eta_r
if j0.domain in ["current collector", ["current collector"]]:
T = variables["X-averaged cell temperature"]
@@ -131,7 +128,9 @@ def get_coupled_variables(self, variables):
+ self.domain.lower()
+ " electrode total interfacial current density"
]
- j_sei = variables[self.domain + " electrode sei interfacial current density"]
+ j_sei = variables[
+ self.domain + " electrode scaled sei interfacial current density"
+ ]
j = j_tot - j_sei
variables.update(self._get_standard_interfacial_current_variables(j))
diff --git a/pybamm/models/submodels/interface/sei/base_sei.py b/pybamm/models/submodels/interface/sei/base_sei.py
index aee9408d06..2feba30c61 100644
--- a/pybamm/models/submodels/interface/sei/base_sei.py
+++ b/pybamm/models/submodels/interface/sei/base_sei.py
@@ -19,7 +19,7 @@ class BaseModel(BaseInterface):
"""
def __init__(self, param, domain):
- reaction = "sei"
+ reaction = "scaled sei"
super().__init__(param, domain, reaction)
def _get_standard_thickness_variables(self, L_inner, L_outer):
@@ -95,7 +95,7 @@ def _get_standard_thickness_variables(self, L_inner, L_outer):
+ " sei concentration [mol.m-3]": n_outer_av * n_outer_scale,
self.domain + " sei concentration [mol.m-3]": n_SEI * n_scale,
"X-averaged " + domain + " sei concentration [mol.m-3]": n_SEI_av * n_scale,
- "Loss of lithium to " + domain + " sei [mols]": Q_sei * n_scale,
+ "Loss of lithium to " + domain + " sei [mol]": Q_sei * n_scale,
}
return variables
@@ -121,13 +121,16 @@ def _get_standard_reaction_variables(self, j_inner, j_outer):
# by parameter values in general
if isinstance(self, pybamm.sei.NoSEI):
j_scale = 1
- Gamma_SEI_n = 1
+ Gamma_SEI = 1
else:
sp = pybamm.sei_parameters
j_scale = (
sp.F * sp.L_sei_0_dim / sp.V_bar_inner_dimensional / sp.tau_discharge
)
- Gamma_SEI_n = sp.Gamma_SEI_n
+ if self.domain == "Negative":
+ Gamma_SEI = sp.Gamma_SEI_n
+ elif self.domain == "Positive":
+ Gamma_SEI = sp.Gamma_SEI_p
j_i_av = pybamm.x_average(j_inner)
j_o_av = pybamm.x_average(j_outer)
@@ -160,9 +163,10 @@ def _get_standard_reaction_variables(self, j_inner, j_outer):
"X-averaged "
+ domain
+ " sei interfacial current density [A.m-2]": j_sei_av * j_scale,
- "Scaled "
+ Domain + " scaled sei interfacial current density": j_sei * Gamma_SEI,
+ "X-averaged "
+ domain
- + " sei interfacial current density": j_sei * Gamma_SEI_n,
+ + " scaled sei interfacial current density": j_sei_av * Gamma_SEI,
}
return variables
diff --git a/pybamm/models/submodels/interface/sei/reaction_limited.py b/pybamm/models/submodels/interface/sei/reaction_limited.py
index 89a250949b..69aa589e8c 100644
--- a/pybamm/models/submodels/interface/sei/reaction_limited.py
+++ b/pybamm/models/submodels/interface/sei/reaction_limited.py
@@ -54,7 +54,9 @@ def get_coupled_variables(self, variables):
# alpha = pybamm.sei_parameters.alpha
# need to revise for thermal case
- j_sei = -(1 / C_sei) * pybamm.exp(-(phi_s_n - phi_e_n - j * L_sei * R_sei))
+ j_sei = -(1 / C_sei) * pybamm.exp(
+ -0.5 * (phi_s_n - phi_e_n - j * L_sei * R_sei)
+ )
j_inner = alpha * j_sei
j_outer = (1 - alpha) * j_sei
From daf49edde3a18898ceac83eba8e0501987b0b93c Mon Sep 17 00:00:00 2001
From: Valentin Sulzer <valentinsulzer@hotmail.com>
Date: Thu, 14 May 2020 13:49:31 -0400
Subject: [PATCH 08/15] #984 reformat interface docs
---
.../first_order_kinetics.rst | 0
.../interface/first_order_kinetics/index.rst | 8 -------
.../inverse_first_order_kinetics.rst | 5 ----
.../models/submodels/interface/index.rst | 8 +++----
...butler_volmer.rst => inverse_kinetics.rst} | 4 ++--
.../interface/inverse_kinetics/index.rst | 7 ------
.../models/submodels/interface/kinetics.rst | 17 ++++++++++++++
.../interface/kinetics/base_kinetics.rst | 5 ----
.../interface/kinetics/butler_volmer.rst | 5 ----
.../submodels/interface/kinetics/index.rst | 10 --------
.../interface/kinetics/no_reaction.rst | 5 ----
.../submodels/interface/kinetics/tafel.rst | 8 -------
.../source/models/submodels/interface/sei.rst | 23 +++++++++++++++++++
.../submodels/interface/sei/base_sei.rst | 6 -----
.../sei/electron_migration_limited.rst | 6 -----
.../models/submodels/interface/sei/index.rst | 12 ----------
.../sei/interstitial_diffusion_limited.rst | 6 -----
.../models/submodels/interface/sei/no_sei.rst | 6 -----
.../interface/sei/reaction_limited.rst | 6 -----
.../sei/solvent_diffusion_limited.rst | 6 -----
20 files changed, 46 insertions(+), 107 deletions(-)
rename docs/source/models/submodels/interface/{first_order_kinetics => }/first_order_kinetics.rst (100%)
delete mode 100644 docs/source/models/submodels/interface/first_order_kinetics/index.rst
delete mode 100644 docs/source/models/submodels/interface/first_order_kinetics/inverse_first_order_kinetics.rst
rename docs/source/models/submodels/interface/{inverse_kinetics/inverse_butler_volmer.rst => inverse_kinetics.rst} (65%)
delete mode 100644 docs/source/models/submodels/interface/inverse_kinetics/index.rst
create mode 100644 docs/source/models/submodels/interface/kinetics.rst
delete mode 100644 docs/source/models/submodels/interface/kinetics/base_kinetics.rst
delete mode 100644 docs/source/models/submodels/interface/kinetics/butler_volmer.rst
delete mode 100644 docs/source/models/submodels/interface/kinetics/index.rst
delete mode 100644 docs/source/models/submodels/interface/kinetics/no_reaction.rst
delete mode 100644 docs/source/models/submodels/interface/kinetics/tafel.rst
create mode 100644 docs/source/models/submodels/interface/sei.rst
delete mode 100644 docs/source/models/submodels/interface/sei/base_sei.rst
delete mode 100644 docs/source/models/submodels/interface/sei/electron_migration_limited.rst
delete mode 100644 docs/source/models/submodels/interface/sei/index.rst
delete mode 100644 docs/source/models/submodels/interface/sei/interstitial_diffusion_limited.rst
delete mode 100644 docs/source/models/submodels/interface/sei/no_sei.rst
delete mode 100644 docs/source/models/submodels/interface/sei/reaction_limited.rst
delete mode 100644 docs/source/models/submodels/interface/sei/solvent_diffusion_limited.rst
diff --git a/docs/source/models/submodels/interface/first_order_kinetics/first_order_kinetics.rst b/docs/source/models/submodels/interface/first_order_kinetics.rst
similarity index 100%
rename from docs/source/models/submodels/interface/first_order_kinetics/first_order_kinetics.rst
rename to docs/source/models/submodels/interface/first_order_kinetics.rst
diff --git a/docs/source/models/submodels/interface/first_order_kinetics/index.rst b/docs/source/models/submodels/interface/first_order_kinetics/index.rst
deleted file mode 100644
index fab79b9b44..0000000000
--- a/docs/source/models/submodels/interface/first_order_kinetics/index.rst
+++ /dev/null
@@ -1,8 +0,0 @@
-First-order Kinetics
-====================
-
-.. toctree::
- :maxdepth: 1
-
- inverse_first_order_kinetics
- first_order_kinetics
diff --git a/docs/source/models/submodels/interface/first_order_kinetics/inverse_first_order_kinetics.rst b/docs/source/models/submodels/interface/first_order_kinetics/inverse_first_order_kinetics.rst
deleted file mode 100644
index 58e1fb83b5..0000000000
--- a/docs/source/models/submodels/interface/first_order_kinetics/inverse_first_order_kinetics.rst
+++ /dev/null
@@ -1,5 +0,0 @@
-Base Inverse First-order Kinetics
-=================================
-
-.. autoclass:: pybamm.interface.InverseFirstOrderKinetics
- :members:
diff --git a/docs/source/models/submodels/interface/index.rst b/docs/source/models/submodels/interface/index.rst
index c2fb250218..f616791487 100644
--- a/docs/source/models/submodels/interface/index.rst
+++ b/docs/source/models/submodels/interface/index.rst
@@ -5,8 +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/index
+ sei
diff --git a/docs/source/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.rst b/docs/source/models/submodels/interface/inverse_kinetics.rst
similarity index 65%
rename from docs/source/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.rst
rename to docs/source/models/submodels/interface/inverse_kinetics.rst
index ef1053594e..5318109f29 100644
--- a/docs/source/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.rst
+++ b/docs/source/models/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
deleted file mode 100644
index d36fa61109..0000000000
--- a/docs/source/models/submodels/interface/inverse_kinetics/index.rst
+++ /dev/null
@@ -1,7 +0,0 @@
-Inverse Interface Kinetics
-==========================
-
-.. toctree::
- :maxdepth: 1
-
- inverse_butler_volmer
diff --git a/docs/source/models/submodels/interface/kinetics.rst b/docs/source/models/submodels/interface/kinetics.rst
new file mode 100644
index 0000000000..7ed998506e
--- /dev/null
+++ 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
deleted file mode 100644
index b91c17f810..0000000000
--- a/docs/source/models/submodels/interface/kinetics/base_kinetics.rst
+++ /dev/null
@@ -1,5 +0,0 @@
-Base Kinetics
-=============
-
-.. autoclass:: pybamm.interface.BaseKinetics
- :members:
diff --git a/docs/source/models/submodels/interface/kinetics/butler_volmer.rst b/docs/source/models/submodels/interface/kinetics/butler_volmer.rst
deleted file mode 100644
index 8d456d9bf8..0000000000
--- a/docs/source/models/submodels/interface/kinetics/butler_volmer.rst
+++ /dev/null
@@ -1,5 +0,0 @@
-Butler-Volmer
-=============
-
-.. autoclass:: pybamm.interface.ButlerVolmer
- :members:
diff --git a/docs/source/models/submodels/interface/kinetics/index.rst b/docs/source/models/submodels/interface/kinetics/index.rst
deleted file mode 100644
index 3dc0fcc859..0000000000
--- a/docs/source/models/submodels/interface/kinetics/index.rst
+++ /dev/null
@@ -1,10 +0,0 @@
-Interface Kinetics
-==================
-
-.. toctree::
- :maxdepth: 1
-
- base_kinetics
- butler_volmer
- no_reaction
- tafel
diff --git a/docs/source/models/submodels/interface/kinetics/no_reaction.rst b/docs/source/models/submodels/interface/kinetics/no_reaction.rst
deleted file mode 100644
index 3d1e91455d..0000000000
--- a/docs/source/models/submodels/interface/kinetics/no_reaction.rst
+++ /dev/null
@@ -1,5 +0,0 @@
-No Reaction
-===========
-
-.. autoclass:: pybamm.interface.NoReaction
- :members:
diff --git a/docs/source/models/submodels/interface/kinetics/tafel.rst b/docs/source/models/submodels/interface/kinetics/tafel.rst
deleted file mode 100644
index dcb425214b..0000000000
--- a/docs/source/models/submodels/interface/kinetics/tafel.rst
+++ /dev/null
@@ -1,8 +0,0 @@
-Tafel
-=====
-
-.. autoclass:: pybamm.interface.ForwardTafel
- :members:
-
-.. autoclass:: pybamm.interface.BackwardTafel
- :members:
diff --git a/docs/source/models/submodels/interface/sei.rst b/docs/source/models/submodels/interface/sei.rst
new file mode 100644
index 0000000000..a036263f27
--- /dev/null
+++ 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:
\ No newline at end of file
diff --git a/docs/source/models/submodels/interface/sei/base_sei.rst b/docs/source/models/submodels/interface/sei/base_sei.rst
deleted file mode 100644
index 77e52fa595..0000000000
--- a/docs/source/models/submodels/interface/sei/base_sei.rst
+++ /dev/null
@@ -1,6 +0,0 @@
-Base SEI
-========
-
-.. autoclass:: pybamm.sei.BaseModel
- :members:
-
diff --git a/docs/source/models/submodels/interface/sei/electron_migration_limited.rst b/docs/source/models/submodels/interface/sei/electron_migration_limited.rst
deleted file mode 100644
index 8d969803d3..0000000000
--- a/docs/source/models/submodels/interface/sei/electron_migration_limited.rst
+++ /dev/null
@@ -1,6 +0,0 @@
-Electron Migration Limited
-==========================
-
-.. autoclass:: pybamm.sei.ElectronMigrationLimited
- :members:
-
diff --git a/docs/source/models/submodels/interface/sei/index.rst b/docs/source/models/submodels/interface/sei/index.rst
deleted file mode 100644
index d7a138d47d..0000000000
--- a/docs/source/models/submodels/interface/sei/index.rst
+++ /dev/null
@@ -1,12 +0,0 @@
-SEI
-===
-
-.. toctree::
- :maxdepth: 1
-
- base_sei
- electron_migration_limited
- interstitial_diffusion_limited
- no_sei
- reaction_limited
- solvent_diffusion_limited
diff --git a/docs/source/models/submodels/interface/sei/interstitial_diffusion_limited.rst b/docs/source/models/submodels/interface/sei/interstitial_diffusion_limited.rst
deleted file mode 100644
index 244b2dbfb8..0000000000
--- a/docs/source/models/submodels/interface/sei/interstitial_diffusion_limited.rst
+++ /dev/null
@@ -1,6 +0,0 @@
-Interstitial Diffusion Limited
-==============================
-
-.. autoclass:: pybamm.sei.InterstitialDiffusionLimited
- :members:
-
diff --git a/docs/source/models/submodels/interface/sei/no_sei.rst b/docs/source/models/submodels/interface/sei/no_sei.rst
deleted file mode 100644
index 3bda8291e0..0000000000
--- a/docs/source/models/submodels/interface/sei/no_sei.rst
+++ /dev/null
@@ -1,6 +0,0 @@
-No SEI
-======
-
-.. autoclass:: pybamm.sei.NoSEI
- :members:
-
diff --git a/docs/source/models/submodels/interface/sei/reaction_limited.rst b/docs/source/models/submodels/interface/sei/reaction_limited.rst
deleted file mode 100644
index 09ee42175d..0000000000
--- a/docs/source/models/submodels/interface/sei/reaction_limited.rst
+++ /dev/null
@@ -1,6 +0,0 @@
-Reaction Limited
-================
-
-.. autoclass:: pybamm.sei.ReactionLimited
- :members:
-
diff --git a/docs/source/models/submodels/interface/sei/solvent_diffusion_limited.rst b/docs/source/models/submodels/interface/sei/solvent_diffusion_limited.rst
deleted file mode 100644
index 07ec74e71d..0000000000
--- a/docs/source/models/submodels/interface/sei/solvent_diffusion_limited.rst
+++ /dev/null
@@ -1,6 +0,0 @@
-Solvent Diffusion Limited
-=========================
-
-.. autoclass:: pybamm.sei.SolventDiffusionLimited
- :members:
-
From e574b4f6ef05f79aecb8dbaa83548a84b60ce83c Mon Sep 17 00:00:00 2001
From: Valentin Sulzer <valentinsulzer@hotmail.com>
Date: Thu, 14 May 2020 13:50:20 -0400
Subject: [PATCH 09/15] #984 add unsaved file
---
.../source/models/submodels/interface/first_order_kinetics.rst | 3 +++
1 file changed, 3 insertions(+)
diff --git a/docs/source/models/submodels/interface/first_order_kinetics.rst b/docs/source/models/submodels/interface/first_order_kinetics.rst
index 32522d6205..874b1a9a87 100644
--- a/docs/source/models/submodels/interface/first_order_kinetics.rst
+++ b/docs/source/models/submodels/interface/first_order_kinetics.rst
@@ -3,3 +3,6 @@ First-order Kinetics
.. autoclass:: pybamm.interface.FirstOrderKinetics
:members:
+
+.. autoclass:: pybamm.interface.InverseFirstOrderKinetics
+ :members:
From aaa61dd0eb31dfc21172e1c97a5b1f8a45b5ee3c Mon Sep 17 00:00:00 2001
From: Valentin Sulzer <valentinsulzer@hotmail.com>
Date: Thu, 14 May 2020 14:59:37 -0400
Subject: [PATCH 10/15] #984 fix models for output tests
---
.../full_battery_models/base_battery_model.py | 18 ++
.../leading_order_conductivity.py | 8 +-
.../submodels/interface/base_interface.py | 24 ++
.../submodels/interface/diffusion_limited.py | 4 +
.../first_order_kinetics.py | 4 +
.../inverse_first_order_kinetics.py | 5 +
.../inverse_kinetics/inverse_butler_volmer.py | 7 +-
.../interface/kinetics/base_kinetics.py | 12 +-
.../test_models/standard_output_tests.py | 17 +-
.../test_lithium_ion/test_spm.py | 214 +++++++++---------
10 files changed, 194 insertions(+), 119 deletions(-)
diff --git a/pybamm/models/full_battery_models/base_battery_model.py b/pybamm/models/full_battery_models/base_battery_model.py
index cba817bba0..d8bebe237f 100644
--- a/pybamm/models/full_battery_models/base_battery_model.py
+++ b/pybamm/models/full_battery_models/base_battery_model.py
@@ -658,6 +658,22 @@ def set_voltage_variables(self):
eta_r_av = eta_r_p_av - eta_r_n_av
eta_r_av_dim = eta_r_p_av_dim - eta_r_n_av_dim
+ # SEI film overpotential
+ eta_sei_n_av = self.variables[
+ "X-averaged negative electrode sei film overpotential"
+ ]
+ eta_sei_p_av = self.variables[
+ "X-averaged positive electrode sei film overpotential"
+ ]
+ eta_sei_n_av_dim = self.variables[
+ "X-averaged negative electrode sei film overpotential [V]"
+ ]
+ eta_sei_p_av_dim = self.variables[
+ "X-averaged positive electrode sei film overpotential [V]"
+ ]
+ eta_sei_av = eta_sei_n_av + eta_sei_p_av
+ eta_sei_av_dim = eta_sei_n_av_dim + eta_sei_p_av_dim
+
# TODO: add current collector losses to the voltage in 3D
self.variables.update(
@@ -668,6 +684,8 @@ def set_voltage_variables(self):
"Measured open circuit voltage [V]": ocv_dim,
"X-averaged reaction overpotential": eta_r_av,
"X-averaged reaction overpotential [V]": eta_r_av_dim,
+ "X-averaged sei film overpotential": eta_sei_av,
+ "X-averaged sei film overpotential [V]": eta_sei_av_dim,
"X-averaged solid phase ohmic losses": delta_phi_s_av,
"X-averaged solid phase ohmic losses [V]": delta_phi_s_av_dim,
}
diff --git a/pybamm/models/submodels/electrolyte_conductivity/leading_order_conductivity.py b/pybamm/models/submodels/electrolyte_conductivity/leading_order_conductivity.py
index 17962268af..437c94e4ee 100644
--- a/pybamm/models/submodels/electrolyte_conductivity/leading_order_conductivity.py
+++ b/pybamm/models/submodels/electrolyte_conductivity/leading_order_conductivity.py
@@ -26,10 +26,12 @@ def __init__(self, param, domain=None):
super().__init__(param, domain)
def get_coupled_variables(self, variables):
- ocp_n_av = variables["X-averaged negative electrode open circuit potential"]
- eta_r_n_av = variables["X-averaged negative electrode reaction overpotential"]
+ # delta_phi = phi_s - phi_e
+ delta_phi_n_av = variables[
+ "X-averaged negative electrode surface potential difference"
+ ]
phi_s_n_av = variables["X-averaged negative electrode potential"]
- phi_e_av = phi_s_n_av - eta_r_n_av - ocp_n_av
+ phi_e_av = phi_s_n_av - delta_phi_n_av
return self._get_coupled_variables_from_potential(variables, phi_e_av)
def _get_coupled_variables_from_potential(self, variables, phi_e_av):
diff --git a/pybamm/models/submodels/interface/base_interface.py b/pybamm/models/submodels/interface/base_interface.py
index 408d0fbfbd..cb84e63b98 100644
--- a/pybamm/models/submodels/interface/base_interface.py
+++ b/pybamm/models/submodels/interface/base_interface.py
@@ -481,6 +481,30 @@ def _get_standard_overpotential_variables(self, eta_r):
return variables
+ def _get_standard_sei_film_overpotential_variables(self, eta_sei):
+
+ pot_scale = self.param.potential_scale
+ # Average, and broadcast if necessary
+ eta_sei_av = pybamm.x_average(eta_sei)
+ if eta_sei.domain == []:
+ eta_sei = pybamm.FullBroadcast(
+ eta_sei, self.domain_for_broadcast, "current collector"
+ )
+ elif eta_sei.domain == ["current collector"]:
+ eta_sei = pybamm.PrimaryBroadcast(eta_sei, self.domain_for_broadcast)
+
+ domain = self.domain.lower() + " electrode"
+ variables = {
+ self.domain + " electrode sei film overpotential": eta_sei,
+ "X-averaged " + domain + " sei film overpotential": eta_sei_av,
+ self.domain + " electrode sei film overpotential [V]": eta_sei * pot_scale,
+ "X-averaged "
+ + domain
+ + " sei film overpotential [V]": eta_sei_av * pot_scale,
+ }
+
+ return variables
+
def _get_standard_surface_potential_difference_variables(self, delta_phi):
if self.domain == "Negative":
diff --git a/pybamm/models/submodels/interface/diffusion_limited.py b/pybamm/models/submodels/interface/diffusion_limited.py
index 9a7f862b4a..6de23c2789 100644
--- a/pybamm/models/submodels/interface/diffusion_limited.py
+++ b/pybamm/models/submodels/interface/diffusion_limited.py
@@ -55,6 +55,10 @@ def get_coupled_variables(self, variables):
variables.update(self._get_standard_overpotential_variables(eta_r))
variables.update(self._get_standard_ocp_variables(ocp, dUdT))
+ # No SEI film resistance in this model
+ eta_sei = pybamm.Scalar(0)
+ variables.update(self._get_standard_sei_film_overpotential_variables(eta_sei))
+
if (
"Negative electrode" + self.reaction_name + " interfacial current density"
in variables
diff --git a/pybamm/models/submodels/interface/first_order_kinetics/first_order_kinetics.py b/pybamm/models/submodels/interface/first_order_kinetics/first_order_kinetics.py
index 264fd15c0c..f134393335 100644
--- a/pybamm/models/submodels/interface/first_order_kinetics/first_order_kinetics.py
+++ b/pybamm/models/submodels/interface/first_order_kinetics/first_order_kinetics.py
@@ -67,6 +67,10 @@ def get_coupled_variables(self, variables):
variables.update(self._get_standard_overpotential_variables(eta_r))
variables.update(self._get_standard_ocp_variables(ocp, dUdT))
+ # SEI film resistance not implemented in this model
+ eta_sei = pybamm.Scalar(0)
+ variables.update(self._get_standard_sei_film_overpotential_variables(eta_sei))
+
# Add first-order averages
j_1_bar = dj_dc_0 * pybamm.x_average(c_e_1) + dj_ddeltaphi_0 * pybamm.x_average(
delta_phi_1
diff --git a/pybamm/models/submodels/interface/first_order_kinetics/inverse_first_order_kinetics.py b/pybamm/models/submodels/interface/first_order_kinetics/inverse_first_order_kinetics.py
index f931b66d8e..592303e7d0 100644
--- a/pybamm/models/submodels/interface/first_order_kinetics/inverse_first_order_kinetics.py
+++ b/pybamm/models/submodels/interface/first_order_kinetics/inverse_first_order_kinetics.py
@@ -1,6 +1,7 @@
#
# First-order Butler-Volmer kinetics
#
+import pybamm
from ..base_interface import BaseInterface
@@ -75,4 +76,8 @@ def get_coupled_variables(self, variables):
self._get_standard_surface_potential_difference_variables(delta_phi)
)
+ # SEI film resistance not implemented in this model
+ eta_sei = pybamm.Scalar(0)
+ variables.update(self._get_standard_sei_film_overpotential_variables(eta_sei))
+
return variables
diff --git a/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py b/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
index 6c78e32891..6531adfe24 100644
--- a/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
+++ b/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
@@ -66,10 +66,12 @@ def get_coupled_variables(self, variables):
L_sei = variables[
"Total " + self.domain.lower() + " electrode sei thickness"
]
- delta_phi = eta_r + ocp + j_tot * L_sei * pybamm.sei_parameters.R_sei
+ eta_sei = -j_tot * L_sei * pybamm.sei_parameters.R_sei
# Without SEI resistance
else:
- delta_phi = eta_r + ocp
+ eta_sei = pybamm.Scalar(0)
+
+ delta_phi = eta_r + ocp - eta_sei
variables.update(
self._get_standard_total_interfacial_current_variables(j_tot_av)
@@ -79,6 +81,7 @@ def get_coupled_variables(self, variables):
variables.update(
self._get_standard_surface_potential_difference_variables(delta_phi)
)
+ variables.update(self._get_standard_sei_film_overpotential_variables(eta_sei))
variables.update(self._get_standard_ocp_variables(ocp, dUdT))
return variables
diff --git a/pybamm/models/submodels/interface/kinetics/base_kinetics.py b/pybamm/models/submodels/interface/kinetics/base_kinetics.py
index f6c79ee968..19b41ba60c 100644
--- a/pybamm/models/submodels/interface/kinetics/base_kinetics.py
+++ b/pybamm/models/submodels/interface/kinetics/base_kinetics.py
@@ -79,12 +79,15 @@ def get_coupled_variables(self, variables):
j = variables[
self.domain + " electrode interfacial current density variable"
]
- eta_r -= j * L_sei * pybamm.sei_parameters.R_sei
+ eta_sei = -j * L_sei * pybamm.sei_parameters.R_sei
elif self.options["sei film resistance"] == "average":
L_sei = variables[
"Total " + self.domain.lower() + " electrode sei thickness"
]
- eta_r -= j_tot_av * L_sei * pybamm.sei_parameters.R_sei
+ eta_sei = -j_tot_av * L_sei * pybamm.sei_parameters.R_sei
+ else:
+ eta_sei = pybamm.Scalar(0)
+ eta_r += eta_sei
# Get number of electrons in reaction
ne = self._get_number_of_electrons_in_reaction()
@@ -107,6 +110,11 @@ def get_coupled_variables(self, variables):
variables.update(self._get_standard_overpotential_variables(eta_r))
variables.update(self._get_standard_ocp_variables(ocp, dUdT))
+ if "main" in self.reaction:
+ variables.update(
+ self._get_standard_sei_film_overpotential_variables(eta_sei)
+ )
+
if (
"Negative electrode" + self.reaction_name + " interfacial current density"
in variables
diff --git a/tests/integration/test_models/standard_output_tests.py b/tests/integration/test_models/standard_output_tests.py
index 5b09b36d46..c93308a348 100644
--- a/tests/integration/test_models/standard_output_tests.py
+++ b/tests/integration/test_models/standard_output_tests.py
@@ -110,6 +110,8 @@ def __init__(self, model, param, disc, solution, operating_condition):
]
self.eta_r_av = solution["X-averaged reaction overpotential [V]"]
+ self.eta_sei_av = solution["X-averaged sei film overpotential [V]"]
+
self.eta_e_av = solution["X-averaged electrolyte overpotential [V]"]
self.delta_phi_s_av = solution["X-averaged solid phase ohmic losses [V]"]
@@ -229,7 +231,8 @@ def test_consistent(self):
self.ocv_av(self.t)
+ self.eta_r_av(self.t)
+ self.eta_e_av(self.t)
- + self.delta_phi_s_av(self.t),
+ + self.delta_phi_s_av(self.t)
+ + self.eta_sei_av(self.t),
decimal=2,
)
@@ -530,13 +533,17 @@ def __init__(self, model, param, disc, solution, operating_condition):
self.j_p_av = solution[
"X-averaged positive electrode interfacial current density"
]
- self.j_n_sei = solution["Negative electrode sei interfacial current density"]
- self.j_p_sei = solution["Positive electrode sei interfacial current density"]
+ self.j_n_sei = solution[
+ "Negative electrode scaled sei interfacial current density"
+ ]
+ self.j_p_sei = solution[
+ "Positive electrode scaled sei interfacial current density"
+ ]
self.j_n_sei_av = solution[
- "X-averaged negative electrode sei interfacial current density"
+ "X-averaged negative electrode scaled sei interfacial current density"
]
self.j_p_sei_av = solution[
- "X-averaged positive electrode sei interfacial current density"
+ "X-averaged positive electrode scaled sei interfacial current density"
]
self.j0_n = solution["Negative electrode exchange current density"]
diff --git a/tests/integration/test_models/test_full_battery_models/test_lithium_ion/test_spm.py b/tests/integration/test_models/test_full_battery_models/test_lithium_ion/test_spm.py
index cc59dbedba..33d1c8654d 100644
--- a/tests/integration/test_models/test_full_battery_models/test_lithium_ion/test_spm.py
+++ b/tests/integration/test_models/test_full_battery_models/test_lithium_ion/test_spm.py
@@ -7,113 +7,113 @@
import unittest
-class TestSPM(unittest.TestCase):
- def test_basic_processing(self):
- options = {"thermal": "isothermal"}
- model = pybamm.lithium_ion.SPM(options)
- modeltest = tests.StandardModelTest(model)
- modeltest.test_all()
-
- def test_basic_processing_1plus1D(self):
- options = {"current collector": "potential pair", "dimensionality": 1}
-
- model = pybamm.lithium_ion.SPM(options)
- var = pybamm.standard_spatial_vars
- var_pts = {
- var.x_n: 5,
- var.x_s: 5,
- var.x_p: 5,
- var.r_n: 5,
- var.r_p: 5,
- var.y: 5,
- var.z: 5,
- }
- modeltest = tests.StandardModelTest(model, var_pts=var_pts)
- modeltest.test_all(skip_output_tests=True)
-
- def test_basic_processing_2plus1D(self):
- options = {"current collector": "potential pair", "dimensionality": 2}
- model = pybamm.lithium_ion.SPM(options)
- var = pybamm.standard_spatial_vars
- var_pts = {
- var.x_n: 5,
- var.x_s: 5,
- var.x_p: 5,
- var.r_n: 5,
- var.r_p: 5,
- var.y: 5,
- var.z: 5,
- }
- modeltest = tests.StandardModelTest(model, var_pts=var_pts)
- modeltest.test_all(skip_output_tests=True)
-
- def test_optimisations(self):
- options = {"thermal": "isothermal"}
- model = pybamm.lithium_ion.SPM(options)
- optimtest = tests.OptimisationsTest(model)
-
- original = optimtest.evaluate_model()
- simplified = optimtest.evaluate_model(simplify=True)
- using_known_evals = optimtest.evaluate_model(use_known_evals=True)
- simp_and_known = optimtest.evaluate_model(simplify=True, use_known_evals=True)
- simp_and_python = optimtest.evaluate_model(simplify=True, to_python=True)
- np.testing.assert_array_almost_equal(original, simplified)
- np.testing.assert_array_almost_equal(original, using_known_evals)
- np.testing.assert_array_almost_equal(original, simp_and_known)
- np.testing.assert_array_almost_equal(original, simp_and_python)
-
- def test_set_up(self):
- model = pybamm.lithium_ion.SPM()
- optimtest = tests.OptimisationsTest(model)
- optimtest.set_up_model(simplify=False, to_python=True)
- optimtest.set_up_model(simplify=True, to_python=True)
- optimtest.set_up_model(simplify=False, to_python=False)
- optimtest.set_up_model(simplify=True, to_python=False)
-
- def test_charge(self):
- options = {"thermal": "isothermal"}
- model = pybamm.lithium_ion.SPM(options)
- parameter_values = model.default_parameter_values
- parameter_values.update({"Current function [A]": -1})
- modeltest = tests.StandardModelTest(model, parameter_values=parameter_values)
- modeltest.test_all()
-
- def test_zero_current(self):
- options = {"thermal": "isothermal"}
- model = pybamm.lithium_ion.SPM(options)
- parameter_values = model.default_parameter_values
- parameter_values.update({"Current function [A]": 0})
- modeltest = tests.StandardModelTest(model, parameter_values=parameter_values)
- modeltest.test_all()
-
- def test_thermal(self):
- options = {"thermal": "lumped"}
- model = pybamm.lithium_ion.SPM(options)
- modeltest = tests.StandardModelTest(model)
- modeltest.test_all()
-
- options = {"thermal": "x-full"}
- model = pybamm.lithium_ion.SPM(options)
- modeltest = tests.StandardModelTest(model)
- modeltest.test_all()
-
- def test_particle_fast_diffusion(self):
- options = {"particle": "fast diffusion"}
- model = pybamm.lithium_ion.SPM(options)
- modeltest = tests.StandardModelTest(model)
- modeltest.test_all()
-
- def test_surface_form_differential(self):
- options = {"surface form": "differential"}
- model = pybamm.lithium_ion.SPM(options)
- modeltest = tests.StandardModelTest(model)
- modeltest.test_all()
-
- def test_surface_form_algebraic(self):
- options = {"surface form": "algebraic"}
- model = pybamm.lithium_ion.SPM(options)
- modeltest = tests.StandardModelTest(model)
- modeltest.test_all()
+# class TestSPM(unittest.TestCase):
+# def test_basic_processing(self):
+# options = {"thermal": "isothermal"}
+# model = pybamm.lithium_ion.SPM(options)
+# modeltest = tests.StandardModelTest(model)
+# modeltest.test_all()
+
+# def test_basic_processing_1plus1D(self):
+# options = {"current collector": "potential pair", "dimensionality": 1}
+
+# model = pybamm.lithium_ion.SPM(options)
+# var = pybamm.standard_spatial_vars
+# var_pts = {
+# var.x_n: 5,
+# var.x_s: 5,
+# var.x_p: 5,
+# var.r_n: 5,
+# var.r_p: 5,
+# var.y: 5,
+# var.z: 5,
+# }
+# modeltest = tests.StandardModelTest(model, var_pts=var_pts)
+# modeltest.test_all(skip_output_tests=True)
+
+# def test_basic_processing_2plus1D(self):
+# options = {"current collector": "potential pair", "dimensionality": 2}
+# model = pybamm.lithium_ion.SPM(options)
+# var = pybamm.standard_spatial_vars
+# var_pts = {
+# var.x_n: 5,
+# var.x_s: 5,
+# var.x_p: 5,
+# var.r_n: 5,
+# var.r_p: 5,
+# var.y: 5,
+# var.z: 5,
+# }
+# modeltest = tests.StandardModelTest(model, var_pts=var_pts)
+# modeltest.test_all(skip_output_tests=True)
+
+# def test_optimisations(self):
+# options = {"thermal": "isothermal"}
+# model = pybamm.lithium_ion.SPM(options)
+# optimtest = tests.OptimisationsTest(model)
+
+# original = optimtest.evaluate_model()
+# simplified = optimtest.evaluate_model(simplify=True)
+# using_known_evals = optimtest.evaluate_model(use_known_evals=True)
+# simp_and_known = optimtest.evaluate_model(simplify=True, use_known_evals=True)
+# simp_and_python = optimtest.evaluate_model(simplify=True, to_python=True)
+# np.testing.assert_array_almost_equal(original, simplified)
+# np.testing.assert_array_almost_equal(original, using_known_evals)
+# np.testing.assert_array_almost_equal(original, simp_and_known)
+# np.testing.assert_array_almost_equal(original, simp_and_python)
+
+# def test_set_up(self):
+# model = pybamm.lithium_ion.SPM()
+# optimtest = tests.OptimisationsTest(model)
+# optimtest.set_up_model(simplify=False, to_python=True)
+# optimtest.set_up_model(simplify=True, to_python=True)
+# optimtest.set_up_model(simplify=False, to_python=False)
+# optimtest.set_up_model(simplify=True, to_python=False)
+
+# def test_charge(self):
+# options = {"thermal": "isothermal"}
+# model = pybamm.lithium_ion.SPM(options)
+# parameter_values = model.default_parameter_values
+# parameter_values.update({"Current function [A]": -1})
+# modeltest = tests.StandardModelTest(model, parameter_values=parameter_values)
+# modeltest.test_all()
+
+# def test_zero_current(self):
+# options = {"thermal": "isothermal"}
+# model = pybamm.lithium_ion.SPM(options)
+# parameter_values = model.default_parameter_values
+# parameter_values.update({"Current function [A]": 0})
+# modeltest = tests.StandardModelTest(model, parameter_values=parameter_values)
+# modeltest.test_all()
+
+# def test_thermal(self):
+# options = {"thermal": "lumped"}
+# model = pybamm.lithium_ion.SPM(options)
+# modeltest = tests.StandardModelTest(model)
+# modeltest.test_all()
+
+# options = {"thermal": "x-full"}
+# model = pybamm.lithium_ion.SPM(options)
+# modeltest = tests.StandardModelTest(model)
+# modeltest.test_all()
+
+# def test_particle_fast_diffusion(self):
+# options = {"particle": "fast diffusion"}
+# model = pybamm.lithium_ion.SPM(options)
+# modeltest = tests.StandardModelTest(model)
+# modeltest.test_all()
+
+# def test_surface_form_differential(self):
+# options = {"surface form": "differential"}
+# model = pybamm.lithium_ion.SPM(options)
+# modeltest = tests.StandardModelTest(model)
+# modeltest.test_all()
+
+# def test_surface_form_algebraic(self):
+# options = {"surface form": "algebraic"}
+# model = pybamm.lithium_ion.SPM(options)
+# modeltest = tests.StandardModelTest(model)
+# modeltest.test_all()
class TestSPMWithSEI(unittest.TestCase):
From 7c2601bf39078be4293353f8a32b6ed6cfa804b8 Mon Sep 17 00:00:00 2001
From: Valentin Sulzer <valentinsulzer@hotmail.com>
Date: Thu, 14 May 2020 15:31:37 -0400
Subject: [PATCH 11/15] #984 flake8 and test
---
.../test_lithium_ion/test_spm.py | 214 +++++++++---------
.../test_leading_order_conductivity.py | 3 +-
2 files changed, 108 insertions(+), 109 deletions(-)
diff --git a/tests/integration/test_models/test_full_battery_models/test_lithium_ion/test_spm.py b/tests/integration/test_models/test_full_battery_models/test_lithium_ion/test_spm.py
index 33d1c8654d..cc59dbedba 100644
--- a/tests/integration/test_models/test_full_battery_models/test_lithium_ion/test_spm.py
+++ b/tests/integration/test_models/test_full_battery_models/test_lithium_ion/test_spm.py
@@ -7,113 +7,113 @@
import unittest
-# class TestSPM(unittest.TestCase):
-# def test_basic_processing(self):
-# options = {"thermal": "isothermal"}
-# model = pybamm.lithium_ion.SPM(options)
-# modeltest = tests.StandardModelTest(model)
-# modeltest.test_all()
-
-# def test_basic_processing_1plus1D(self):
-# options = {"current collector": "potential pair", "dimensionality": 1}
-
-# model = pybamm.lithium_ion.SPM(options)
-# var = pybamm.standard_spatial_vars
-# var_pts = {
-# var.x_n: 5,
-# var.x_s: 5,
-# var.x_p: 5,
-# var.r_n: 5,
-# var.r_p: 5,
-# var.y: 5,
-# var.z: 5,
-# }
-# modeltest = tests.StandardModelTest(model, var_pts=var_pts)
-# modeltest.test_all(skip_output_tests=True)
-
-# def test_basic_processing_2plus1D(self):
-# options = {"current collector": "potential pair", "dimensionality": 2}
-# model = pybamm.lithium_ion.SPM(options)
-# var = pybamm.standard_spatial_vars
-# var_pts = {
-# var.x_n: 5,
-# var.x_s: 5,
-# var.x_p: 5,
-# var.r_n: 5,
-# var.r_p: 5,
-# var.y: 5,
-# var.z: 5,
-# }
-# modeltest = tests.StandardModelTest(model, var_pts=var_pts)
-# modeltest.test_all(skip_output_tests=True)
-
-# def test_optimisations(self):
-# options = {"thermal": "isothermal"}
-# model = pybamm.lithium_ion.SPM(options)
-# optimtest = tests.OptimisationsTest(model)
-
-# original = optimtest.evaluate_model()
-# simplified = optimtest.evaluate_model(simplify=True)
-# using_known_evals = optimtest.evaluate_model(use_known_evals=True)
-# simp_and_known = optimtest.evaluate_model(simplify=True, use_known_evals=True)
-# simp_and_python = optimtest.evaluate_model(simplify=True, to_python=True)
-# np.testing.assert_array_almost_equal(original, simplified)
-# np.testing.assert_array_almost_equal(original, using_known_evals)
-# np.testing.assert_array_almost_equal(original, simp_and_known)
-# np.testing.assert_array_almost_equal(original, simp_and_python)
-
-# def test_set_up(self):
-# model = pybamm.lithium_ion.SPM()
-# optimtest = tests.OptimisationsTest(model)
-# optimtest.set_up_model(simplify=False, to_python=True)
-# optimtest.set_up_model(simplify=True, to_python=True)
-# optimtest.set_up_model(simplify=False, to_python=False)
-# optimtest.set_up_model(simplify=True, to_python=False)
-
-# def test_charge(self):
-# options = {"thermal": "isothermal"}
-# model = pybamm.lithium_ion.SPM(options)
-# parameter_values = model.default_parameter_values
-# parameter_values.update({"Current function [A]": -1})
-# modeltest = tests.StandardModelTest(model, parameter_values=parameter_values)
-# modeltest.test_all()
-
-# def test_zero_current(self):
-# options = {"thermal": "isothermal"}
-# model = pybamm.lithium_ion.SPM(options)
-# parameter_values = model.default_parameter_values
-# parameter_values.update({"Current function [A]": 0})
-# modeltest = tests.StandardModelTest(model, parameter_values=parameter_values)
-# modeltest.test_all()
-
-# def test_thermal(self):
-# options = {"thermal": "lumped"}
-# model = pybamm.lithium_ion.SPM(options)
-# modeltest = tests.StandardModelTest(model)
-# modeltest.test_all()
-
-# options = {"thermal": "x-full"}
-# model = pybamm.lithium_ion.SPM(options)
-# modeltest = tests.StandardModelTest(model)
-# modeltest.test_all()
-
-# def test_particle_fast_diffusion(self):
-# options = {"particle": "fast diffusion"}
-# model = pybamm.lithium_ion.SPM(options)
-# modeltest = tests.StandardModelTest(model)
-# modeltest.test_all()
-
-# def test_surface_form_differential(self):
-# options = {"surface form": "differential"}
-# model = pybamm.lithium_ion.SPM(options)
-# modeltest = tests.StandardModelTest(model)
-# modeltest.test_all()
-
-# def test_surface_form_algebraic(self):
-# options = {"surface form": "algebraic"}
-# model = pybamm.lithium_ion.SPM(options)
-# modeltest = tests.StandardModelTest(model)
-# modeltest.test_all()
+class TestSPM(unittest.TestCase):
+ def test_basic_processing(self):
+ options = {"thermal": "isothermal"}
+ model = pybamm.lithium_ion.SPM(options)
+ modeltest = tests.StandardModelTest(model)
+ modeltest.test_all()
+
+ def test_basic_processing_1plus1D(self):
+ options = {"current collector": "potential pair", "dimensionality": 1}
+
+ model = pybamm.lithium_ion.SPM(options)
+ var = pybamm.standard_spatial_vars
+ var_pts = {
+ var.x_n: 5,
+ var.x_s: 5,
+ var.x_p: 5,
+ var.r_n: 5,
+ var.r_p: 5,
+ var.y: 5,
+ var.z: 5,
+ }
+ modeltest = tests.StandardModelTest(model, var_pts=var_pts)
+ modeltest.test_all(skip_output_tests=True)
+
+ def test_basic_processing_2plus1D(self):
+ options = {"current collector": "potential pair", "dimensionality": 2}
+ model = pybamm.lithium_ion.SPM(options)
+ var = pybamm.standard_spatial_vars
+ var_pts = {
+ var.x_n: 5,
+ var.x_s: 5,
+ var.x_p: 5,
+ var.r_n: 5,
+ var.r_p: 5,
+ var.y: 5,
+ var.z: 5,
+ }
+ modeltest = tests.StandardModelTest(model, var_pts=var_pts)
+ modeltest.test_all(skip_output_tests=True)
+
+ def test_optimisations(self):
+ options = {"thermal": "isothermal"}
+ model = pybamm.lithium_ion.SPM(options)
+ optimtest = tests.OptimisationsTest(model)
+
+ original = optimtest.evaluate_model()
+ simplified = optimtest.evaluate_model(simplify=True)
+ using_known_evals = optimtest.evaluate_model(use_known_evals=True)
+ simp_and_known = optimtest.evaluate_model(simplify=True, use_known_evals=True)
+ simp_and_python = optimtest.evaluate_model(simplify=True, to_python=True)
+ np.testing.assert_array_almost_equal(original, simplified)
+ np.testing.assert_array_almost_equal(original, using_known_evals)
+ np.testing.assert_array_almost_equal(original, simp_and_known)
+ np.testing.assert_array_almost_equal(original, simp_and_python)
+
+ def test_set_up(self):
+ model = pybamm.lithium_ion.SPM()
+ optimtest = tests.OptimisationsTest(model)
+ optimtest.set_up_model(simplify=False, to_python=True)
+ optimtest.set_up_model(simplify=True, to_python=True)
+ optimtest.set_up_model(simplify=False, to_python=False)
+ optimtest.set_up_model(simplify=True, to_python=False)
+
+ def test_charge(self):
+ options = {"thermal": "isothermal"}
+ model = pybamm.lithium_ion.SPM(options)
+ parameter_values = model.default_parameter_values
+ parameter_values.update({"Current function [A]": -1})
+ modeltest = tests.StandardModelTest(model, parameter_values=parameter_values)
+ modeltest.test_all()
+
+ def test_zero_current(self):
+ options = {"thermal": "isothermal"}
+ model = pybamm.lithium_ion.SPM(options)
+ parameter_values = model.default_parameter_values
+ parameter_values.update({"Current function [A]": 0})
+ modeltest = tests.StandardModelTest(model, parameter_values=parameter_values)
+ modeltest.test_all()
+
+ def test_thermal(self):
+ options = {"thermal": "lumped"}
+ model = pybamm.lithium_ion.SPM(options)
+ modeltest = tests.StandardModelTest(model)
+ modeltest.test_all()
+
+ options = {"thermal": "x-full"}
+ model = pybamm.lithium_ion.SPM(options)
+ modeltest = tests.StandardModelTest(model)
+ modeltest.test_all()
+
+ def test_particle_fast_diffusion(self):
+ options = {"particle": "fast diffusion"}
+ model = pybamm.lithium_ion.SPM(options)
+ modeltest = tests.StandardModelTest(model)
+ modeltest.test_all()
+
+ def test_surface_form_differential(self):
+ options = {"surface form": "differential"}
+ model = pybamm.lithium_ion.SPM(options)
+ modeltest = tests.StandardModelTest(model)
+ modeltest.test_all()
+
+ def test_surface_form_algebraic(self):
+ options = {"surface form": "algebraic"}
+ model = pybamm.lithium_ion.SPM(options)
+ modeltest = tests.StandardModelTest(model)
+ modeltest.test_all()
class TestSPMWithSEI(unittest.TestCase):
diff --git a/tests/unit/test_models/test_submodels/test_electrolyte_conductivity/test_leading_order_conductivity.py b/tests/unit/test_models/test_submodels/test_electrolyte_conductivity/test_leading_order_conductivity.py
index 98650b6dac..7d27313b2c 100644
--- a/tests/unit/test_models/test_submodels/test_electrolyte_conductivity/test_leading_order_conductivity.py
+++ b/tests/unit/test_models/test_submodels/test_electrolyte_conductivity/test_leading_order_conductivity.py
@@ -14,8 +14,7 @@ def test_public_functions(self):
variables = {
"Current collector current density": a,
"X-averaged negative electrode potential": a,
- "X-averaged negative electrode open circuit potential": a,
- "X-averaged negative electrode reaction overpotential": a,
+ "X-averaged negative electrode surface potential difference": a,
}
submodel = pybamm.electrolyte_conductivity.LeadingOrder(param)
std_tests = tests.StandardSubModelTests(submodel, variables)
From 3afb1e4663d682a7b4f674c35af02c1bae5b67e9 Mon Sep 17 00:00:00 2001
From: Valentin Sulzer <valentinsulzer@hotmail.com>
Date: Fri, 15 May 2020 11:50:39 -0400
Subject: [PATCH 12/15] #984 use total current in sei film overpotential
---
examples/scripts/calendar_ageing.py | 5 --
.../interface/kinetics/base_kinetics.py | 57 ++++++++++---------
2 files changed, 29 insertions(+), 33 deletions(-)
diff --git a/examples/scripts/calendar_ageing.py b/examples/scripts/calendar_ageing.py
index b0bdf731b7..6d8aa529e8 100644
--- a/examples/scripts/calendar_ageing.py
+++ b/examples/scripts/calendar_ageing.py
@@ -51,12 +51,7 @@
"X-averaged negative electrode sei interfacial current density [A.m-2]",
"X-averaged negative electrode interfacial current density [A.m-2]",
],
- [
- "X-averaged negative electrode sei interfacial current density",
- "X-averaged negative electrode interfacial current density",
- ],
"Sum of x-averaged negative electrode interfacial current densities",
- "Sum of negative electrode interfacial current densities",
"X-averaged electrolyte concentration",
],
)
diff --git a/pybamm/models/submodels/interface/kinetics/base_kinetics.py b/pybamm/models/submodels/interface/kinetics/base_kinetics.py
index 19b41ba60c..09de1a958c 100644
--- a/pybamm/models/submodels/interface/kinetics/base_kinetics.py
+++ b/pybamm/models/submodels/interface/kinetics/base_kinetics.py
@@ -37,16 +37,17 @@ def get_fundamental_variables(self):
and "main" in self.reaction
):
j = pybamm.Variable(
- self.domain + " electrode interfacial current density",
+ "Total "
+ + self.domain.lower()
+ + " electrode interfacial current density",
domain=self.domain.lower() + " electrode",
auxiliary_domains={"secondary": "current collector"},
)
variables = {
- self.domain
- + " electrode"
- + self.reaction_name
- + " interfacial current density variable": j
+ "Total "
+ + self.domain.lower()
+ + " electrode interfacial current density variable": j
}
return variables
else:
@@ -76,10 +77,12 @@ def get_coupled_variables(self, variables):
L_sei = variables[
"Total " + self.domain.lower() + " electrode sei thickness"
]
- j = variables[
- self.domain + " electrode interfacial current density variable"
+ j_tot = variables[
+ "Total "
+ + self.domain.lower()
+ + " electrode interfacial current density variable"
]
- eta_sei = -j * L_sei * pybamm.sei_parameters.R_sei
+ eta_sei = -j_tot * L_sei * pybamm.sei_parameters.R_sei
elif self.options["sei film resistance"] == "average":
L_sei = variables[
"Total " + self.domain.lower() + " electrode sei thickness"
@@ -138,20 +141,19 @@ def set_algebraic(self, variables):
self.options["sei film resistance"] == "distributed"
and "main" in self.reaction
):
- j_var = variables[
- self.domain
- + " electrode"
- + self.reaction_name
- + " interfacial current density variable"
+ j_tot_var = variables[
+ "Total "
+ + self.domain.lower()
+ + " electrode interfacial current density variable"
]
- j = variables[
- self.domain
- + " electrode"
- + self.reaction_name
- + " interfacial current density"
+ j_tot = variables[
+ "Sum of "
+ + self.domain.lower()
+ + " electrode interfacial current densities"
]
- # Algebraic equation to set the variable j_var equal to the reaction term j
- self.algebraic[j_var] = j_var - j
+ # Algebraic equation to set the variable j_tot_var
+ # equal to the sum of currents j_tot
+ self.algebraic[j_tot_var] = j_tot_var - j_tot
def set_initial_conditions(self, variables):
if (
@@ -159,18 +161,17 @@ def set_initial_conditions(self, variables):
and "main" in self.reaction
):
param = self.param
- j_var = variables[
- self.domain
- + " electrode"
- + self.reaction_name
- + " interfacial current density variable"
+ j_tot_var = variables[
+ "Total "
+ + self.domain.lower()
+ + " electrode interfacial current density variable"
]
if self.domain == "Negative":
- j_av_init = param.current_with_time / param.l_n
+ j_tot_av_init = param.current_with_time / param.l_n
elif self.domain == "Positive":
- j_av_init = -param.current_with_time / param.l_p
+ j_tot_av_init = -param.current_with_time / param.l_p
- self.initial_conditions[j_var] = j_av_init
+ self.initial_conditions[j_tot_var] = j_tot_av_init
def _get_dj_dc(self, variables):
"""
From 01d04529ca9a8fac39df16a604bd397939efebe1 Mon Sep 17 00:00:00 2001
From: Valentin Sulzer <valentinsulzer@hotmail.com>
Date: Fri, 15 May 2020 14:48:25 -0400
Subject: [PATCH 13/15] #984 fix parameters
---
pybamm/parameters/parameter_sets.py | 7 +++++--
pybamm/parameters/parameter_values.py | 9 ++++++---
.../test_parameters/test_parameter_values.py | 19 ++++++++++++++++++-
3 files changed, 29 insertions(+), 6 deletions(-)
diff --git a/pybamm/parameters/parameter_sets.py b/pybamm/parameters/parameter_sets.py
index 6fb6536c3b..b487f79c97 100644
--- a/pybamm/parameters/parameter_sets.py
+++ b/pybamm/parameters/parameter_sets.py
@@ -18,7 +18,7 @@
"cathode": "nca_Kim2011",
"electrolyte": "lipf6_Kim2011",
"experiment": "1C_discharge_from_full_Kim2011",
- "sei": "Example",
+ "sei": "example",
"citation": "kim2011multi",
}
@@ -30,6 +30,7 @@
"cathode": "LiNiCoO2_Ecker2015",
"electrolyte": "lipf6_Ecker2015",
"experiment": "1C_discharge_from_full_Ecker2015",
+ "sei": "example",
"citation": ["ecker2015i", "ecker2015ii", "richardson2020"],
}
@@ -41,7 +42,7 @@
"cathode": "lico2_Marquis2019",
"electrolyte": "lipf6_Marquis2019",
"experiment": "1C_discharge_from_full_Marquis2019",
- "sei": "Example",
+ "sei": "example",
"citation": "marquis2019asymptotic",
}
@@ -53,6 +54,7 @@
"cathode": "nmc_Chen2020",
"electrolyte": "lipf6_Nyman2008",
"experiment": "1C_discharge_from_full_Chen2020",
+ "sei": "example",
"citation": "Chen2020",
}
@@ -64,6 +66,7 @@
"cathode": "NMC_UMBL_Mohtat2020",
"electrolyte": "LiPF6_Mohtat2020",
"experiment": "1C_charge_from_empty_Mohtat2020",
+ "sei": "example",
"citation": "Mohtat2020",
}
#
diff --git a/pybamm/parameters/parameter_values.py b/pybamm/parameters/parameter_values.py
index 5a6b992fd9..5c782ec341 100644
--- a/pybamm/parameters/parameter_values.py
+++ b/pybamm/parameters/parameter_values.py
@@ -487,9 +487,12 @@ def _process_symbol(self, symbol):
# Scalar inherits name (for updating parameters) and domain (for
# Broadcast)
return pybamm.Scalar(value, name=symbol.name, domain=symbol.domain)
- elif isinstance(value, pybamm.InputParameter):
- value.domain = symbol.domain
- return value
+ elif isinstance(value, pybamm.Symbol):
+ new_value = self.process_symbol(value)
+ new_value.domain = symbol.domain
+ return new_value
+ else:
+ raise TypeError("Cannot process parameter '{}'".format(value))
elif isinstance(symbol, pybamm.FunctionParameter):
new_children = [self.process_symbol(child) for child in symbol.children]
diff --git a/tests/unit/test_parameters/test_parameter_values.py b/tests/unit/test_parameters/test_parameter_values.py
index aa35fdecbd..e37855279b 100644
--- a/tests/unit/test_parameters/test_parameter_values.py
+++ b/tests/unit/test_parameters/test_parameter_values.py
@@ -235,8 +235,20 @@ def test_process_symbol(self):
x = pybamm.Parameter("x")
parameter_values.process_symbol(x)
+ def test_process_parameter_in_parameter(self):
+ parameter_values = pybamm.ParameterValues(
+ {"a": 2, "2a": pybamm.Parameter("a") * 2}
+ )
+
+ # process 2a parameter
+ a = pybamm.Parameter("2a")
+ processed_a = parameter_values.process_symbol(a)
+ self.assertEqual(processed_a.evaluate(), 4)
+
def test_process_input_parameter(self):
- parameter_values = pybamm.ParameterValues({"a": "[input]", "b": 3})
+ parameter_values = pybamm.ParameterValues(
+ {"a": "[input]", "b": 3, "c times 2": pybamm.InputParameter("c") * 2}
+ )
# process input parameter
a = pybamm.Parameter("a")
processed_a = parameter_values.process_symbol(a)
@@ -252,6 +264,11 @@ def test_process_input_parameter(self):
self.assertIsInstance(processed_add.children[1], pybamm.Scalar)
self.assertEqual(processed_add.evaluate(inputs={"a": 4}), 7)
+ # process complex input parameter
+ c = pybamm.Parameter("c times 2")
+ processed_c = parameter_values.process_symbol(c)
+ self.assertEqual(processed_c.evaluate(inputs={"c": 5}), 10)
+
def test_process_function_parameter(self):
parameter_values = pybamm.ParameterValues(
{
From 4f44cd3d95cbc37e1a3a4827c47da84ed5e84af6 Mon Sep 17 00:00:00 2001
From: Valentin Sulzer <valentinsulzer@hotmail.com>
Date: Fri, 15 May 2020 15:18:07 -0400
Subject: [PATCH 14/15] #984 fix parameter path??
---
.../parameters/lithium-ion/seis/{Example => example}/README.md | 0
.../lithium-ion/seis/{Example => example}/parameters.csv | 0
2 files changed, 0 insertions(+), 0 deletions(-)
rename pybamm/input/parameters/lithium-ion/seis/{Example => example}/README.md (100%)
rename pybamm/input/parameters/lithium-ion/seis/{Example => example}/parameters.csv (100%)
diff --git a/pybamm/input/parameters/lithium-ion/seis/Example/README.md b/pybamm/input/parameters/lithium-ion/seis/example/README.md
similarity index 100%
rename from pybamm/input/parameters/lithium-ion/seis/Example/README.md
rename to pybamm/input/parameters/lithium-ion/seis/example/README.md
diff --git a/pybamm/input/parameters/lithium-ion/seis/Example/parameters.csv b/pybamm/input/parameters/lithium-ion/seis/example/parameters.csv
similarity index 100%
rename from pybamm/input/parameters/lithium-ion/seis/Example/parameters.csv
rename to pybamm/input/parameters/lithium-ion/seis/example/parameters.csv
From 3f1629c68e8b8d918f286eb37081ab9849b8ef81 Mon Sep 17 00:00:00 2001
From: Valentin Sulzer <valentinsulzer@hotmail.com>
Date: Tue, 19 May 2020 12:41:53 -0400
Subject: [PATCH 15/15] #984 change sei nondimensionalization
---
.../submodels/interface/base_interface.py | 8 ++---
.../inverse_kinetics/inverse_butler_volmer.py | 4 +--
.../submodels/interface/sei/base_sei.py | 28 +++++----------
.../sei/electron_migration_limited.py | 10 ++++--
.../sei/interstitial_diffusion_limited.py | 14 +++++---
.../interface/sei/reaction_limited.py | 10 ++++--
.../sei/solvent_diffusion_limited.py | 11 ++++--
pybamm/parameters/sei_parameters.py | 35 ++++++++++---------
.../test_models/standard_output_tests.py | 12 +++----
9 files changed, 71 insertions(+), 61 deletions(-)
diff --git a/pybamm/models/submodels/interface/base_interface.py b/pybamm/models/submodels/interface/base_interface.py
index cb84e63b98..ad8bc0420f 100644
--- a/pybamm/models/submodels/interface/base_interface.py
+++ b/pybamm/models/submodels/interface/base_interface.py
@@ -35,9 +35,9 @@ def __init__(self, param, domain, reaction):
elif reaction == "lithium-ion oxygen":
self.reaction_name = " oxygen"
self.Reaction_icd = "Oxygen interfacial current density"
- elif reaction == "scaled sei":
- self.reaction_name = " scaled sei"
- self.Reaction_icd = "Scaled sei interfacial current density"
+ elif reaction == "sei":
+ self.reaction_name = " sei"
+ self.Reaction_icd = "Sei interfacial current density"
self.reaction = reaction
def _get_exchange_current_density(self, variables):
@@ -175,7 +175,7 @@ def _get_number_of_electrons_in_reaction(self):
def _get_electrolyte_reaction_signed_stoichiometry(self):
"Returns the number of electrons in the reaction"
- if self.reaction in ["lithium-ion main", "scaled sei"]:
+ if self.reaction in ["lithium-ion main", "sei"]:
# Both the main reaction current contribute to the electrolyte reaction
# current
return pybamm.Scalar(1), pybamm.Scalar(1)
diff --git a/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py b/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
index 6531adfe24..110ab39bba 100644
--- a/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
+++ b/pybamm/models/submodels/interface/inverse_kinetics/inverse_butler_volmer.py
@@ -131,9 +131,7 @@ def get_coupled_variables(self, variables):
+ self.domain.lower()
+ " electrode total interfacial current density"
]
- j_sei = variables[
- self.domain + " electrode scaled sei interfacial current density"
- ]
+ j_sei = variables[self.domain + " electrode sei interfacial current density"]
j = j_tot - j_sei
variables.update(self._get_standard_interfacial_current_variables(j))
diff --git a/pybamm/models/submodels/interface/sei/base_sei.py b/pybamm/models/submodels/interface/sei/base_sei.py
index 2feba30c61..d457344098 100644
--- a/pybamm/models/submodels/interface/sei/base_sei.py
+++ b/pybamm/models/submodels/interface/sei/base_sei.py
@@ -19,7 +19,11 @@ class BaseModel(BaseInterface):
"""
def __init__(self, param, domain):
- reaction = "scaled sei"
+ if domain == "Positive" and not isinstance(self, pybamm.sei.NoSEI):
+ raise NotImplementedError(
+ "SEI models are not implemented for the positive electrode"
+ )
+ reaction = "sei"
super().__init__(param, domain, reaction)
def _get_standard_thickness_variables(self, L_inner, L_outer):
@@ -117,20 +121,10 @@ def _get_standard_reaction_variables(self, j_inner, j_outer):
variables : dict
The variables which can be derived from the SEI thicknesses.
"""
- # Set scales to one for the "no SEI" model so that they are not required
- # by parameter values in general
- if isinstance(self, pybamm.sei.NoSEI):
- j_scale = 1
- Gamma_SEI = 1
- else:
- sp = pybamm.sei_parameters
- j_scale = (
- sp.F * sp.L_sei_0_dim / sp.V_bar_inner_dimensional / sp.tau_discharge
- )
- if self.domain == "Negative":
- Gamma_SEI = sp.Gamma_SEI_n
- elif self.domain == "Positive":
- Gamma_SEI = sp.Gamma_SEI_p
+ if self.domain == "Negative":
+ j_scale = self.param.interfacial_current_scale_n
+ elif self.domain == "Positive":
+ j_scale = self.param.interfacial_current_scale_p
j_i_av = pybamm.x_average(j_inner)
j_o_av = pybamm.x_average(j_outer)
@@ -163,10 +157,6 @@ def _get_standard_reaction_variables(self, j_inner, j_outer):
"X-averaged "
+ domain
+ " sei interfacial current density [A.m-2]": j_sei_av * j_scale,
- Domain + " scaled sei interfacial current density": j_sei * Gamma_SEI,
- "X-averaged "
- + domain
- + " scaled sei interfacial current density": j_sei_av * Gamma_SEI,
}
return variables
diff --git a/pybamm/models/submodels/interface/sei/electron_migration_limited.py b/pybamm/models/submodels/interface/sei/electron_migration_limited.py
index 9d76dd80e3..f351666311 100644
--- a/pybamm/models/submodels/interface/sei/electron_migration_limited.py
+++ b/pybamm/models/submodels/interface/sei/electron_migration_limited.py
@@ -35,8 +35,9 @@ def get_coupled_variables(self, variables):
]
phi_s_n = variables[self.domain + " electrode potential"]
- C_sei = pybamm.sei_parameters.C_sei_electron
U_inner = pybamm.sei_parameters.U_inner_electron
+ if self.domain == "Negative":
+ C_sei = pybamm.sei_parameters.C_sei_electron_n
j_sei = (phi_s_n - U_inner) / (C_sei * L_sei_inner)
@@ -66,8 +67,13 @@ def set_rhs(self, variables):
j_outer = variables["Outer " + domain + " sei interfacial current density"]
v_bar = pybamm.sei_parameters.v_bar
+ if self.domain == "Negative":
+ Gamma_SEI = pybamm.sei_parameters.Gamma_SEI_n
- self.rhs = {L_inner: -j_inner, L_outer: -v_bar * j_outer}
+ self.rhs = {
+ L_inner: -Gamma_SEI * j_inner,
+ L_outer: -v_bar * Gamma_SEI * j_outer,
+ }
def set_initial_conditions(self, variables):
domain = self.domain.lower() + " electrode"
diff --git a/pybamm/models/submodels/interface/sei/interstitial_diffusion_limited.py b/pybamm/models/submodels/interface/sei/interstitial_diffusion_limited.py
index 9e15caa522..b962e465cb 100644
--- a/pybamm/models/submodels/interface/sei/interstitial_diffusion_limited.py
+++ b/pybamm/models/submodels/interface/sei/interstitial_diffusion_limited.py
@@ -34,11 +34,11 @@ def get_coupled_variables(self, variables):
"Inner " + self.domain.lower() + " electrode sei thickness"
]
phi_s_n = variables[self.domain + " electrode potential"]
- phi_e_n = variables[self.domain + " electrolyte potential"]
- C_sei = pybamm.sei_parameters.C_sei_inter
+ if self.domain == "Negative":
+ C_sei = pybamm.sei_parameters.C_sei_inter_n
- j_sei = -pybamm.exp(-(phi_s_n - phi_e_n)) / (C_sei * L_sei_inner)
+ j_sei = -pybamm.exp(-phi_s_n) / (C_sei * L_sei_inner)
alpha = 0.5
j_inner = alpha * j_sei
@@ -67,7 +67,13 @@ def set_rhs(self, variables):
v_bar = pybamm.sei_parameters.v_bar
- self.rhs = {L_inner: -j_inner, L_outer: -v_bar * j_outer}
+ if self.domain == "Negative":
+ Gamma_SEI = pybamm.sei_parameters.Gamma_SEI_n
+
+ self.rhs = {
+ L_inner: -Gamma_SEI * j_inner,
+ L_outer: -v_bar * Gamma_SEI * j_outer,
+ }
def set_initial_conditions(self, variables):
domain = self.domain.lower() + " electrode"
diff --git a/pybamm/models/submodels/interface/sei/reaction_limited.py b/pybamm/models/submodels/interface/sei/reaction_limited.py
index 69aa589e8c..f312644cd5 100644
--- a/pybamm/models/submodels/interface/sei/reaction_limited.py
+++ b/pybamm/models/submodels/interface/sei/reaction_limited.py
@@ -48,10 +48,11 @@ def get_coupled_variables(self, variables):
]
L_sei = variables["Total " + self.domain.lower() + " electrode sei thickness"]
- C_sei = pybamm.sei_parameters.C_sei_reaction
R_sei = pybamm.sei_parameters.R_sei
alpha = 0.5
# alpha = pybamm.sei_parameters.alpha
+ if self.domain == "Negative":
+ C_sei = pybamm.sei_parameters.C_sei_reaction_n
# need to revise for thermal case
j_sei = -(1 / C_sei) * pybamm.exp(
@@ -83,8 +84,13 @@ def set_rhs(self, variables):
j_outer = variables["Outer " + domain + " sei interfacial current density"]
v_bar = pybamm.sei_parameters.v_bar
+ if self.domain == "Negative":
+ Gamma_SEI = pybamm.sei_parameters.Gamma_SEI_n
- self.rhs = {L_inner: -j_inner, L_outer: -v_bar * j_outer}
+ self.rhs = {
+ L_inner: -Gamma_SEI * j_inner,
+ L_outer: -v_bar * Gamma_SEI * j_outer,
+ }
def set_initial_conditions(self, variables):
domain = self.domain.lower() + " electrode"
diff --git a/pybamm/models/submodels/interface/sei/solvent_diffusion_limited.py b/pybamm/models/submodels/interface/sei/solvent_diffusion_limited.py
index a1e638ba34..fc2c3f8b8a 100644
--- a/pybamm/models/submodels/interface/sei/solvent_diffusion_limited.py
+++ b/pybamm/models/submodels/interface/sei/solvent_diffusion_limited.py
@@ -34,7 +34,8 @@ def get_coupled_variables(self, variables):
"Outer " + self.domain.lower() + " electrode sei thickness"
]
- C_sei = pybamm.sei_parameters.C_sei_solvent
+ if self.domain == "Negative":
+ C_sei = pybamm.sei_parameters.C_sei_solvent_n
j_sei = -1 / (C_sei * L_sei_outer)
@@ -65,7 +66,13 @@ def set_rhs(self, variables):
v_bar = pybamm.sei_parameters.v_bar
- self.rhs = {L_inner: -j_inner, L_outer: -v_bar * j_outer}
+ if self.domain == "Negative":
+ Gamma_SEI = pybamm.sei_parameters.Gamma_SEI_n
+
+ self.rhs = {
+ L_inner: -Gamma_SEI * j_inner,
+ L_outer: -v_bar * Gamma_SEI * j_outer,
+ }
def set_initial_conditions(self, variables):
domain = self.domain.lower() + " electrode"
diff --git a/pybamm/parameters/sei_parameters.py b/pybamm/parameters/sei_parameters.py
index ef1106f7b0..d4532f5757 100644
--- a/pybamm/parameters/sei_parameters.py
+++ b/pybamm/parameters/sei_parameters.py
@@ -51,24 +51,25 @@
L_x = pybamm.standard_parameters_lithium_ion.L_x
i_typ = pybamm.electrical_parameters.i_typ
+j_scale_n = pybamm.standard_parameters_lithium_ion.interfacial_current_scale_n
+j_scale_p = pybamm.standard_parameters_lithium_ion.interfacial_current_scale_p
-C_sei_reaction = (
- F * L_sei_0_dim / (m_sei_dimensional * tau_discharge * V_bar_inner_dimensional)
-) * pybamm.exp(-(F * U_n_ref / (2 * R * T_ref)))
-C_sei_solvent = L_sei_0_dim ** 2 / (
- c_sol_dimensional * V_bar_inner_dimensional * D_sol_dimensional * tau_discharge
+C_sei_reaction_n = (j_scale_n / m_sei_dimensional) * pybamm.exp(
+ -(F * U_n_ref / (2 * R * T_ref))
)
-
-C_sei_electron = (
- F ** 2
- * L_sei_0_dim ** 2
- / (kappa_inner_dimensional * V_bar_inner_dimensional * R * T_ref * tau_discharge)
+C_sei_reaction_p = (j_scale_p / m_sei_dimensional) * pybamm.exp(
+ -(F * U_n_ref / (2 * R * T_ref))
)
-C_sei_inter = L_sei_0_dim ** 2 / (
- D_li_dimensional * c_li_0_dimensional * V_bar_inner_dimensional * tau_discharge
-)
+C_sei_solvent_n = j_scale_n * L_sei_0_dim / (c_sol_dimensional * F * D_sol_dimensional)
+C_sei_solvent_p = j_scale_p * L_sei_0_dim / (c_sol_dimensional * F * D_sol_dimensional)
+
+C_sei_electron_n = j_scale_n * F * L_sei_0_dim / (kappa_inner_dimensional * R * T_ref)
+C_sei_electron_p = j_scale_p * F * L_sei_0_dim / (kappa_inner_dimensional * R * T_ref)
+
+C_sei_inter_n = j_scale_n * L_sei_0_dim / (D_li_dimensional * c_li_0_dimensional * F)
+C_sei_inter_p = j_scale_p * L_sei_0_dim / (D_li_dimensional * c_li_0_dimensional * F)
U_inner_electron = F * U_inner_dimensional / R / T_ref
@@ -80,10 +81,10 @@
L_outer_0 = L_outer_0_dim / L_sei_0_dim
# ratio of SEI reaction scale to intercalation reaction
-Gamma_SEI_n = (F * L_sei_0_dim * a_n * L_x) / (
- V_bar_inner_dimensional * i_typ * tau_discharge
+Gamma_SEI_n = (V_bar_inner_dimensional * i_typ * tau_discharge) / (
+ F * L_sei_0_dim * a_n * L_x
)
-Gamma_SEI_p = (F * L_sei_0_dim * a_p * L_x) / (
- V_bar_inner_dimensional * i_typ * tau_discharge
+Gamma_SEI_p = (V_bar_inner_dimensional * i_typ * tau_discharge) / (
+ F * L_sei_0_dim * a_p * L_x
)
diff --git a/tests/integration/test_models/standard_output_tests.py b/tests/integration/test_models/standard_output_tests.py
index c93308a348..3732f01623 100644
--- a/tests/integration/test_models/standard_output_tests.py
+++ b/tests/integration/test_models/standard_output_tests.py
@@ -533,17 +533,13 @@ def __init__(self, model, param, disc, solution, operating_condition):
self.j_p_av = solution[
"X-averaged positive electrode interfacial current density"
]
- self.j_n_sei = solution[
- "Negative electrode scaled sei interfacial current density"
- ]
- self.j_p_sei = solution[
- "Positive electrode scaled sei interfacial current density"
- ]
+ self.j_n_sei = solution["Negative electrode sei interfacial current density"]
+ self.j_p_sei = solution["Positive electrode sei interfacial current density"]
self.j_n_sei_av = solution[
- "X-averaged negative electrode scaled sei interfacial current density"
+ "X-averaged negative electrode sei interfacial current density"
]
self.j_p_sei_av = solution[
- "X-averaged positive electrode scaled sei interfacial current density"
+ "X-averaged positive electrode sei interfacial current density"
]
self.j0_n = solution["Negative electrode exchange current density"]