Merge pull request #2099 from pybamm-team/issue-2098-SPMe-SR

#2098 change averaging for SPMe+SR

CHANGELOG.md

@@ -5,6 +5,7 @@
 
 -   Moved general code about submodels to `BaseModel` instead of `BaseBatteryModel`, making it easier to build custom models from submodels. ([#2169](https://github.com/pybamm-team/PyBaMM/pull/2169))
 -   Events can now be plotted as a regular variable (under the name "Event: event_name", e.g. "Event: Minimum voltage [V]") ([#2158](https://github.com/pybamm-team/PyBaMM/pull/2158))
+-   SEI growth, lithium plating and porosity change can now be set to distributed in `SPMe`. There is an additional option called `x-average side reactions` which allows to set this (note that for `SPM` it is always x-averaged). ([#2099](https://github.com/pybamm-team/PyBaMM/pull/2099))
 
 ## Optimizations
 
@@ -208,7 +209,7 @@ This release introduces:
 -   Added submodels and functionality for particle-size distributions in the DFN model, including an
 example notebook ([#1602](https://github.com/pybamm-team/PyBaMM/pull/1602))
 -   Added UDDS and WLTC drive cycles  ([#1601](https://github.com/pybamm-team/PyBaMM/pull/1601))
--   Added LG M50 (NMC811 and graphite + SiOx) parameter set from O'Regan 2021 ([#1594](https://github.com/pybamm-team/PyBaMM/pull/1594))
+-   Added LG M50 (NMC811 and graphite + SiOx) parameter set from O'Regan 2022 ([#1594](https://github.com/pybamm-team/PyBaMM/pull/1594))
 -   `pybamm.base_solver.solve` function can take a list of input parameters to calculate the sensitivities of the solution with respect to. Alternatively, it can be set  to `True` to calculate the sensitivities for all input parameters ([#1552](https://github.com/pybamm-team/PyBaMM/pull/1552))
 -   Added capability for `quaternary` domains (in addition to `primary`, `secondary` and `tertiary`), increasing the maximum number of domains that a `Symbol` can have to 4. ([#1580](https://github.com/pybamm-team/PyBaMM/pull/1580))
 -   Tabs can now be placed at the bottom of the cell in 1+1D thermal models ([#1581](https://github.com/pybamm-team/PyBaMM/pull/1581))

benchmarks/time_setup_models_and_sims.py

@@ -2,7 +2,7 @@
 
 parameters = [
     "Marquis2019",
-    "ORegan2021",
+    "ORegan2022",
     "NCA_Kim2011",
     "Prada2013",
     "Ai2020",

benchmarks/time_solve_models.py

@@ -15,7 +15,7 @@ class TimeSolveSPM:
         [False, True],
         [
             "Marquis2019",
-            "ORegan2021",
+            "ORegan2022",
             "NCA_Kim2011",
             "Prada2013",
             # "Ai2020",
@@ -69,7 +69,7 @@ class TimeSolveSPMe:
         [False, True],
         [
             "Marquis2019",
-            "ORegan2021",
+            "ORegan2022",
             "NCA_Kim2011",
             "Prada2013",
             # "Ai2020",
@@ -123,7 +123,7 @@ class TimeSolveDFN:
         [False, True],
         [
             "Marquis2019",
-            "ORegan2021",
+            "ORegan2022",
             # "NCA_Kim2011",
             "Prada2013",
             "Ai2020",

examples/notebooks/models/simulating-ORegan-2021-parameter-set.ipynb → examples/notebooks/models/simulating-ORegan-2022-parameter-set.ipynb

@@ -5,9 +5,9 @@
    "id": "global-street",
    "metadata": {},
    "source": [
-    "# Run simulations with O'Regan 2021 parameter set (LG M50)\n",
+    "# Run simulations with O'Regan 2022 parameter set (LG M50)\n",
     "\n",
-    "In this notebook we show an example on how to run the DFN model with the O'Regan 2021 parameter set for the LG M50 cell. Because of the concentration dependent diffusion coefficient, we need to customise the mesh so the simulations converge."
+    "In this notebook we show an example on how to run the DFN model with the O'Regan 2022 parameter set for the LG M50 cell. Because of the concentration dependent diffusion coefficient, we need to customise the mesh so the simulations converge."
    ]
   },
   {
@@ -48,8 +48,8 @@
     "options = {\"thermal\": \"lumped\", \"dimensionality\": 0, \"cell geometry\": \"arbitrary\"}\n",
     "model = pybamm.lithium_ion.DFN(options=options)\n",
     "\n",
-    "# O'Regan 2021 parameter set\n",
-    "param = pybamm.ParameterValues(\"ORegan2021\")\n",
+    "# O'Regan 2022 parameter set\n",
+    "param = pybamm.ParameterValues(\"ORegan2022\")\n",
     "\n",
     "# Choose CasADI fast (we do a short discharge so there are no events, if events are needed choose \"fast with events\")\n",
     "solver = pybamm.CasadiSolver(mode=\"fast\")"
@@ -163,7 +163,7 @@
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "Python 3 (ipykernel)",
+   "display_name": "Python 3.7.4 ('dev': venv)",
    "language": "python",
    "name": "python3"
   },
@@ -177,7 +177,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.9.0"
+   "version": "3.7.4"
   },
   "toc": {
    "base_numbering": 1,
@@ -191,6 +191,11 @@
    "toc_position": {},
    "toc_section_display": true,
    "toc_window_display": true
+  },
+  "vscode": {
+   "interpreter": {
+    "hash": "0f0e5a277ebcf03e91e138edc3d4774b5dee64e7d6640c0d876f99a9f6b2a4dc"
+   }
   }
  },
  "nbformat": 4,

pybamm/CITATIONS.txt

@@ -35,6 +35,18 @@
   doi = {10.1016/j.electacta.2021.138524},
 }
 
+@article{BrosaPlanella2022,
+  author = {Brosa Planella, Ferran and Widanage, W. Dhammika},
+  title = {{Systematic derivation of a Single Particle Model with Electrolyte and Side Reactions (SPMe+SR) for degradation of lithium-ion batteries}},
+  journal = {Submitted for publication},
+  volume = {},
+  number = {},
+  pages = {},
+  year = {2022},
+  publisher = {},
+  doi = {},
+}
+
 @article{Chen2020,
   author = {Chen, Chang-Hui and Brosa Planella, Ferran and O'Regan, Kieran and Gastol, Dominika and Widanage, W. Dhammika and Kendrick, Emma},
   title = {{Development of Experimental Techniques for Parameterization of Multi-scale Lithium-ion Battery Models}},
@@ -309,17 +321,15 @@
   url  ="http://dx.doi.org/10.1039/D2CP00417H",
 }
 
-
-@article{ORegan2021,
+@article{ORegan2022,
   author = {O'Regan, Kieran and Brosa Planella, Ferran and Widanage, W. Dhammika and Kendrick, Emma},
-  title = {{Thermal-electrochemical parametrisation of a lithium-ion battery: mapping Li concentration and temperature dependencies}},
-  journal = {Journal of The Electrochemical Society},
-  volume = {},
-  number = {},
-  pages = {},
-  year = {2021},
-  publisher = {The Electrochemical Society},
-  doi = {},
+  title = {{Thermal-electrochemical parameters of a high energy lithium-ion cylindrical battery}},
+  journal = {{Electrochimica Acta}},
+  volume = {425},
+  pages = {140700},
+  year = {2022},
+  publisher = {Elsevier},
+  doi = {10.1016/j.electacta.2022.140700},
 }
 
 @article{Prada2013,

pybamm/input/parameters/lithium_ion/cells/LGM50_ORegan2022/README.md

@@ -0,0 +1,7 @@
+# LG M50 cell parameters
+
+Parameters for an LG M50 cell, from the paper
+
+> Kieran O’Regan, Ferran Brosa Planella, W. Dhammika Widanage, and Emma Kendrick. ["Thermal-electrochemical parameters of a high energy lithium-ion cylindrical battery."](https://www.sciencedirect.com/science/article/pii/S0013468622008593) Electrochimica Acta 425 (2022): 140700
+
+and references therein.

pybamm/input/parameters/lithium_ion/experiments/1C_discharge_from_full_ORegan2022/README.md

@@ -0,0 +1,7 @@
+# 1C discharge from full
+
+Discharge lithium-ion battery from full charge at 1C, using the initial conditions from the paper
+
+> Kieran O’Regan, Ferran Brosa Planella, W. Dhammika Widanage, and Emma Kendrick. ["Thermal-electrochemical parameters of a high energy lithium-ion cylindrical battery."](https://www.sciencedirect.com/science/article/pii/S0013468622008593) Electrochimica Acta 425 (2022): 140700
+
+and references therein.

pybamm/input/parameters/lithium_ion/negative_electrodes/graphite_ORegan2022/README.md

@@ -0,0 +1,7 @@
+# LG M50 Graphite negative electrode parameters
+
+Parameters for a LG M50 graphite negative electrode, from the paper
+
+> Kieran O’Regan, Ferran Brosa Planella, W. Dhammika Widanage, and Emma Kendrick. ["Thermal-electrochemical parameters of a high energy lithium-ion cylindrical battery."](https://www.sciencedirect.com/science/article/pii/S0013468622008593) Electrochimica Acta 425 (2022): 140700
+
+and references therein.

pybamm/input/parameters/lithium_ion/negative_electrodes/graphite_ORegan2021/graphite_LGM50_diffusivity_ORegan2021.py → pybamm/input/parameters/lithium_ion/negative_electrodes/graphite_ORegan2022/graphite_LGM50_diffusivity_ORegan2022.py

@@ -1,17 +1,16 @@
 from pybamm import exp, constants
 
 
-def graphite_LGM50_diffusivity_ORegan2021(sto, T):
+def graphite_LGM50_diffusivity_ORegan2022(sto, T):
     """
     LG M50 Graphite diffusivity as a function of stochiometry, in this case the
     diffusivity is taken to be a constant. The value is taken from [1].
 
     References
     ----------
     .. [1] Kieran O’Regan, Ferran Brosa Planella, W. Dhammika Widanage, and Emma
-    Kendrick. "Thermal-electrochemical parametrisation of a lithium-ion battery:
-    mapping Li concentration and temperature dependencies." Journal of the
-    Electrochemical Society, submitted (2021).
+    Kendrick. "Thermal-electrochemical parameters of a high energy lithium-ion
+    cylindrical battery." Electrochimica Acta 425 (2022): 140700
 
     Parameters
     ----------

pybamm/input/parameters/lithium_ion/negative_electrodes/graphite_ORegan2021/graphite_LGM50_electrolyte_exchange_current_density_ORegan2021.py → pybamm/input/parameters/lithium_ion/negative_electrodes/graphite_ORegan2022/graphite_LGM50_electrolyte_exchange_current_density_ORegan2022.py

@@ -1,7 +1,7 @@
 from pybamm import exp, constants, Parameter
 
 
-def graphite_LGM50_electrolyte_exchange_current_density_ORegan2021(
+def graphite_LGM50_electrolyte_exchange_current_density_ORegan2022(
     c_e, c_s_surf, c_s_max, T
 ):
     """
@@ -11,9 +11,8 @@ def graphite_LGM50_electrolyte_exchange_current_density_ORegan2021(
     References
     ----------
     .. [1] Kieran O’Regan, Ferran Brosa Planella, W. Dhammika Widanage, and Emma
-    Kendrick. "Thermal-electrochemical parametrisation of a lithium-ion battery:
-    mapping Li concentration and temperature dependencies." Journal of the
-    Electrochemical Society, submitted (2021).
+    Kendrick. "Thermal-electrochemical parameters of a high energy lithium-ion
+    cylindrical battery." Electrochimica Acta 425 (2022): 140700
 
     Parameters
     ----------

pybamm/input/parameters/lithium_ion/negative_electrodes/graphite_ORegan2021/graphite_LGM50_entropic_change_ORegan2021.py → pybamm/input/parameters/lithium_ion/negative_electrodes/graphite_ORegan2022/graphite_LGM50_entropic_change_ORegan2022.py

@@ -1,17 +1,16 @@
 from pybamm import exp, tanh
 
 
-def graphite_LGM50_entropic_change_ORegan2021(sto, c_s_max):
+def graphite_LGM50_entropic_change_ORegan2022(sto, c_s_max):
     """
     LG M50 Graphite entropic change in open circuit potential (OCP) at a temperature of
     298.15K as a function of the stochiometry. The fit is taken from [1].
 
     References
     ----------
     .. [1] Kieran O’Regan, Ferran Brosa Planella, W. Dhammika Widanage, and Emma
-    Kendrick. "Thermal-electrochemical parametrisation of a lithium-ion battery:
-    mapping Li concentration and temperature dependencies." Journal of the
-    Electrochemical Society, submitted (2021).
+    Kendrick. "Thermal-electrochemical parameters of a high energy lithium-ion
+    cylindrical battery." Electrochimica Acta 425 (2022): 140700
 
     Parameters
     ----------

pybamm/input/parameters/lithium_ion/negative_electrodes/graphite_ORegan2021/graphite_LGM50_heat_capacity_ORegan2021.py → pybamm/input/parameters/lithium_ion/negative_electrodes/graphite_ORegan2022/graphite_LGM50_heat_capacity_ORegan2022.py

@@ -1,17 +1,16 @@
 from pybamm import Parameter
 
 
-def graphite_LGM50_heat_capacity_ORegan2021(T):
+def graphite_LGM50_heat_capacity_ORegan2022(T):
     """
     Wet negative electrode specific heat capacity as a function of the temperature from
     [1].
 
     References
     ----------
     .. [1] Kieran O’Regan, Ferran Brosa Planella, W. Dhammika Widanage, and Emma
-    Kendrick. "Thermal-electrochemical parametrisation of a lithium-ion battery:
-    mapping Li concentration and temperature dependencies." Journal of the
-    Electrochemical Society, submitted (2021).
+    Kendrick. "Thermal-electrochemical parameters of a high energy lithium-ion
+    cylindrical battery." Electrochimica Acta 425 (2022): 140700
 
     Parameters
     ----------

pybamm/input/parameters/lithium_ion/negative_electrodes/graphite_ORegan2021/graphite_LGM50_thermal_conductivity_ORegan2021.py → pybamm/input/parameters/lithium_ion/negative_electrodes/graphite_ORegan2022/graphite_LGM50_thermal_conductivity_ORegan2022.py

@@ -1,14 +1,13 @@
-def graphite_LGM50_thermal_conductivity_ORegan2021(T):
+def graphite_LGM50_thermal_conductivity_ORegan2022(T):
     """
     Wet negative electrode thermal conductivity as a function of the temperature from
     [1].
 
     References
     ----------
     .. [1] Kieran O’Regan, Ferran Brosa Planella, W. Dhammika Widanage, and Emma
-    Kendrick. "Thermal-electrochemical parametrisation of a lithium-ion battery:
-    mapping Li concentration and temperature dependencies." Journal of the
-    Electrochemical Society, submitted (2021).
+    Kendrick. "Thermal-electrochemical parameters of a high energy lithium-ion
+    cylindrical battery." Electrochimica Acta 425 (2022): 140700
 
     Parameters
     ----------

pybamm/input/parameters/lithium_ion/negative_electrodes/graphite_ORegan2021/parameters.csv → pybamm/input/parameters/lithium_ion/negative_electrodes/graphite_ORegan2022/parameters.csv

@@ -4,7 +4,7 @@ Name [units],Value,Reference,Notes
 # Electrode properties,,,
 Negative electrode conductivity [S.m-1],215,Chen 2020,graphite
 Maximum concentration in negative electrode [mol.m-3],29583,Chen 2020,
-Negative electrode diffusivity [m2.s-1],[function]graphite_LGM50_diffusivity_ORegan2021,O'Regan 2021,
+Negative electrode diffusivity [m2.s-1],[function]graphite_LGM50_diffusivity_ORegan2022,O'Regan 2022,
 Negative electrode OCP [V],[function]graphite_LGM50_ocp_Chen2020,Chen 2020,
 ,,,
 # Microstructure,,,
@@ -20,12 +20,12 @@ Negative electrode electrons in reaction,1,,
 Reference OCP vs SHE in the negative electrode [V],,,
 Negative electrode charge transfer coefficient,0.5,Chen 2020,
 Negative electrode double-layer capacity [F.m-2],0.2,,
-Negative electrode exchange-current density [A.m-2],[function]graphite_LGM50_electrolyte_exchange_current_density_ORegan2021,O'Regan 2021,
+Negative electrode exchange-current density [A.m-2],[function]graphite_LGM50_electrolyte_exchange_current_density_ORegan2022,O'Regan 2022,
 ,,,
 # Density,,,
-Negative electrode density [kg.m-3],2060,O'Regan 2021,wet electrode
+Negative electrode density [kg.m-3],2060,O'Regan 2022,wet electrode
 ,,,
 # Thermal parameters,,,
-Negative electrode specific heat capacity [J.kg-1.K-1],[function]graphite_LGM50_heat_capacity_ORegan2021,O'Regan 2021,wet electrode
-Negative electrode thermal conductivity [W.m-1.K-1],[function]graphite_LGM50_thermal_conductivity_ORegan2021,O'Regan 2021,wet electrode
-Negative electrode OCP entropic change [V.K-1],[function]graphite_LGM50_entropic_change_ORegan2021,,
+Negative electrode specific heat capacity [J.kg-1.K-1],[function]graphite_LGM50_heat_capacity_ORegan2022,O'Regan 2022,wet electrode
+Negative electrode thermal conductivity [W.m-1.K-1],[function]graphite_LGM50_thermal_conductivity_ORegan2022,O'Regan 2022,wet electrode
+Negative electrode OCP entropic change [V.K-1],[function]graphite_LGM50_entropic_change_ORegan2022,,

pybamm/input/parameters/lithium_ion/positive_electrodes/nmc_ORegan2022/README.md

@@ -0,0 +1,7 @@
+# NMC 811 positive electrode parameters
+
+Parameters for an LG M50 NMC positive electrode, from the paper
+
+> Kieran O’Regan, Ferran Brosa Planella, W. Dhammika Widanage, and Emma Kendrick. ["Thermal-electrochemical parameters of a high energy lithium-ion cylindrical battery."](https://www.sciencedirect.com/science/article/pii/S0013468622008593) Electrochimica Acta 425 (2022): 140700
+
+and references therein.

pybamm/input/parameters/lithium_ion/positive_electrodes/nmc_ORegan2021/nmc_LGM50_diffusivity_ORegan2021.py → pybamm/input/parameters/lithium_ion/positive_electrodes/nmc_ORegan2022/nmc_LGM50_diffusivity_ORegan2022.py

@@ -1,17 +1,16 @@
 from pybamm import exp, constants
 
 
-def nmc_LGM50_diffusivity_ORegan2021(sto, T):
+def nmc_LGM50_diffusivity_ORegan2022(sto, T):
     """
     NMC diffusivity as a function of stoichiometry, in this case the
     diffusivity is taken to be a constant. The value is taken from [1].
 
     References
     ----------
     .. [1] Kieran O’Regan, Ferran Brosa Planella, W. Dhammika Widanage, and Emma
-    Kendrick. "Thermal-electrochemical parametrisation of a lithium-ion battery:
-    mapping Li concentration and temperature dependencies." Journal of the
-    Electrochemical Society, submitted (2021).
+    Kendrick. "Thermal-electrochemical parameters of a high energy lithium-ion
+    cylindrical battery." Electrochimica Acta 425 (2022): 140700
 
     Parameters
     ----------

pybamm/input/parameters/lithium_ion/positive_electrodes/nmc_ORegan2021/nmc_LGM50_electrolyte_exchange_current_density_ORegan2021.py → pybamm/input/parameters/lithium_ion/positive_electrodes/nmc_ORegan2022/nmc_LGM50_electrolyte_exchange_current_density_ORegan2022.py

@@ -1,7 +1,7 @@
 from pybamm import exp, constants, Parameter
 
 
-def nmc_LGM50_electrolyte_exchange_current_density_ORegan2021(
+def nmc_LGM50_electrolyte_exchange_current_density_ORegan2022(
     c_e, c_s_surf, c_s_max, T
 ):
     """
@@ -11,9 +11,8 @@ def nmc_LGM50_electrolyte_exchange_current_density_ORegan2021(
     References
     ----------
     .. [1] Kieran O’Regan, Ferran Brosa Planella, W. Dhammika Widanage, and Emma
-    Kendrick. "Thermal-electrochemical parametrisation of a lithium-ion battery:
-    mapping Li concentration and temperature dependencies." Journal of the
-    Electrochemical Society, submitted (2021).
+    Kendrick. "Thermal-electrochemical parameters of a high energy lithium-ion
+    cylindrical battery." Electrochimica Acta 425 (2022): 140700
 
     Parameters
     ----------