Domain degradation parameters

CHANGELOG.md

@@ -2,8 +2,9 @@
 
 ## Features
 
-- Added sensitivity calculation support for `pybamm.Simulation` and `pybamm.Experiment` ([#4415](https://github.com/pybamm-team/PyBaMM/pull/4415))
 - Added OpenMP parallelization to IDAKLU solver for lists of input parameters ([#4449](https://github.com/pybamm-team/PyBaMM/pull/4449))
+- Porosity change now works for composite electrode ([#4417](https://github.com/pybamm-team/PyBaMM/pull/4417))
+- Added sensitivity calculation support for `pybamm.Simulation` and `pybamm.Experiment` ([#4415](https://github.com/pybamm-team/PyBaMM/pull/4415))
 - Added phase-dependent particle options to LAM #4369
 - Added a lithium ion equivalent circuit model with split open circuit voltages for each electrode (`SplitOCVR`). ([#4330](https://github.com/pybamm-team/PyBaMM/pull/4330))
 
@@ -18,6 +19,7 @@
 
 ## Breaking changes
 
+- The names of most SEI and plating parameters have been changed so that they have domains ([#4463](https://github.com/pybamm-team/PyBaMM/pull/4463))
 - The parameters "... electrode OCP entropic change [V.K-1]" and "... electrode volume change" are now expected to be functions of stoichiometry only instead of functions of both stoichiometry and maximum concentration ([#4427](https://github.com/pybamm-team/PyBaMM/pull/4427))
 - Renamed `set_events` function to `add_events_from` to better reflect its purpose. ([#4421](https://github.com/pybamm-team/PyBaMM/pull/4421))
 

docs/source/examples/notebooks/batch_study.ipynb

@@ -501,15 +501,15 @@
     "    \"Mohtat2020_3\": pybamm.ParameterValues(\"Mohtat2020\"),\n",
     "}\n",
     "\n",
-    "# different values for the parameter \"Inner SEI open-circuit potential [V]\"\n",
+    "# different values for the parameter \"Negative inner SEI open-circuit potential [V]\"\n",
     "inner_sei_oc_v_values = [2.0e-4, 2.7e-4, 3.4e-4]\n",
     "\n",
-    "# updating the value of \"Inner SEI open-circuit potential [V]\" in all the dictionary items\n",
+    "# updating the value of \"Negative inner SEI open-circuit potential [V]\" in all the dictionary items\n",
     "for _, v, inner_sei_oc_v in zip(\n",
     "    parameter_values.keys(), parameter_values.values(), inner_sei_oc_v_values\n",
     "):\n",
     "    v.update(\n",
-    "        {\"Inner SEI open-circuit potential [V]\": inner_sei_oc_v},\n",
+    "        {\"Negative inner SEI open-circuit potential [V]\": inner_sei_oc_v},\n",
     "    )\n",
     "\n",
     "# creating a Single Particle Model with \"electron-mitigation limited\" SEI\n",
@@ -527,7 +527,7 @@
     "batch_study.solve(initial_soc=1)\n",
     "\n",
     "labels = [\n",
-    "    f\"Inner SEI open-circuit potential [V]: {inner_sei_oc_v}\"\n",
+    "    f\"Negative inner SEI open-circuit potential [V]: {inner_sei_oc_v}\"\n",
     "    for inner_sei_oc_v in inner_sei_oc_v_values\n",
     "]\n",
     "batch_study.plot(labels=labels)"
@@ -627,7 +627,7 @@
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "Python 3.8.12 ('conda_jl')",
+   "display_name": "Python 3 (ipykernel)",
    "language": "python",
    "name": "python3"
   },
@@ -641,7 +641,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.11.4"
+   "version": "3.10.12"
   },
   "toc": {
    "base_numbering": 1,
@@ -663,5 +663,5 @@
   }
  },
  "nbformat": 4,
- "nbformat_minor": 2
+ "nbformat_minor": 4
 }

docs/source/examples/notebooks/models/lithium-plating.ipynb

@@ -46,9 +46,9 @@
     "parameter_values = pybamm.ParameterValues(\"OKane2022\")\n",
     "parameter_values.update({\"Ambient temperature [K]\": 268.15})\n",
     "parameter_values.update({\"Upper voltage cut-off [V]\": 4.21})\n",
-    "# parameter_values.update({\"Lithium plating kinetic rate constant [m.s-1]\": 1E-9})\n",
-    "parameter_values.update({\"Lithium plating transfer coefficient\": 0.5})\n",
-    "parameter_values.update({\"Dead lithium decay constant [s-1]\": 1e-4})"
+    "# parameter_values.update({\"Negative lithium plating kinetic rate constant [m.s-1]\": 1E-9})\n",
+    "parameter_values.update({\"Negative lithium plating transfer coefficient\": 0.5})\n",
+    "parameter_values.update({\"Negative dead lithium decay constant [s-1]\": 1e-4})"
    ]
   },
   {
@@ -366,7 +366,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.11.5"
+   "version": "3.10.12"
   },
   "toc": {
    "base_numbering": 1,

docs/source/examples/notebooks/models/loss_of_active_materials.ipynb

@@ -632,7 +632,7 @@
     "# Changing secondary SEI solvent diffusivity to show different degradation between phases\n",
     "parameter_values.update(\n",
     "    {\n",
-    "        \"Secondary: Outer SEI solvent diffusivity [m2.s-1]\": 2.5000000000000002e-24,\n",
+    "        \"Secondary: Negative outer SEI solvent diffusivity [m2.s-1]\": 2.5000000000000002e-24,\n",
     "    }\n",
     ")\n",
     "\n",
@@ -722,7 +722,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.11.9"
+   "version": "3.10.12"
   },
   "toc": {
    "base_numbering": 1,

docs/source/examples/notebooks/simulations_and_experiments/rpt-experiment.ipynb

@@ -57,7 +57,7 @@
    "source": [
     "model = pybamm.lithium_ion.SPM({\"SEI\": \"ec reaction limited\"})\n",
     "parameter_values = pybamm.ParameterValues(\"Mohtat2020\")\n",
-    "parameter_values.update({\"SEI kinetic rate constant [m.s-1]\": 1e-14})"
+    "parameter_values.update({\"Negative SEI kinetic rate constant [m.s-1]\": 1e-14})"
    ]
   },
   {
@@ -450,7 +450,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.8.10"
+   "version": "3.10.12"
   }
  },
  "nbformat": 4,

docs/source/examples/notebooks/simulations_and_experiments/simulating-long-experiments.ipynb

@@ -64,7 +64,7 @@
    "outputs": [],
    "source": [
     "parameter_values = pybamm.ParameterValues(\"Mohtat2020\")\n",
-    "parameter_values.update({\"SEI kinetic rate constant [m.s-1]\": 1e-14})\n",
+    "parameter_values.update({\"Negative SEI kinetic rate constant [m.s-1]\": 1e-14})\n",
     "spm = pybamm.lithium_ion.SPM({\"SEI\": \"ec reaction limited\"})"
    ]
   },
@@ -1950,7 +1950,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.8.10"
+   "version": "3.10.12"
   },
   "toc": {
    "base_numbering": 1,

src/pybamm/input/parameters/lithium_ion/Ai2020.py

@@ -533,28 +533,28 @@ def get_parameter_values():
     return {
         "chemistry": "lithium_ion",
         # sei
-        "Ratio of lithium moles to SEI moles": 2.0,
-        "Inner SEI reaction proportion": 0.5,
-        "Inner SEI partial molar volume [m3.mol-1]": 9.585e-05,
-        "Outer SEI partial molar volume [m3.mol-1]": 9.585e-05,
-        "SEI reaction exchange current density [A.m-2]": 1.5e-07,
-        "SEI resistivity [Ohm.m]": 200000.0,
-        "Outer SEI solvent diffusivity [m2.s-1]": 2.5000000000000002e-22,
-        "Bulk solvent concentration [mol.m-3]": 2636.0,
-        "Inner SEI open-circuit potential [V]": 0.1,
-        "Outer SEI open-circuit potential [V]": 0.8,
-        "Inner SEI electron conductivity [S.m-1]": 8.95e-14,
-        "Inner SEI lithium interstitial diffusivity [m2.s-1]": 1e-20,
-        "Lithium interstitial reference concentration [mol.m-3]": 15.0,
-        "Initial inner SEI thickness [m]": 2.5e-09,
-        "Initial outer SEI thickness [m]": 2.5e-09,
-        "Initial inner SEI on cracks thickness [m]": 2.5e-13,  # avoid division by zero
-        "Initial outer SEI on cracks thickness [m]": 2.5e-13,  # avoid division by zero
-        "EC initial concentration in electrolyte [mol.m-3]": 4541.0,
-        "EC diffusivity [m2.s-1]": 2e-18,
-        "SEI kinetic rate constant [m.s-1]": 1e-12,
-        "SEI open-circuit potential [V]": 0.4,
-        "SEI growth activation energy [J.mol-1]": 0.0,
+        "Ratio of lithium moles to negative SEI moles": 2.0,
+        "Negative inner SEI reaction proportion": 0.5,
+        "Negative inner SEI partial molar volume [m3.mol-1]": 9.585e-05,
+        "Negative outer SEI partial molar volume [m3.mol-1]": 9.585e-05,
+        "Negative SEI reaction exchange current density [A.m-2]": 1.5e-07,
+        "Negative SEI resistivity [Ohm.m]": 200000.0,
+        "Negative outer SEI solvent diffusivity [m2.s-1]": 2.5000000000000002e-22,
+        "Bulk solvent concentration for negative SEI [mol.m-3]": 2636.0,
+        "Negative inner SEI open-circuit potential [V]": 0.1,
+        "Negative outer SEI open-circuit potential [V]": 0.8,
+        "Negative inner SEI electron conductivity [S.m-1]": 8.95e-14,
+        "Negative inner SEI lithium interstitial diffusivity [m2.s-1]": 1e-20,
+        "Negative lithium interstitial reference concentration [mol.m-3]": 15.0,
+        "Initial negative inner SEI thickness [m]": 2.5e-09,
+        "Initial negative outer SEI thickness [m]": 2.5e-09,
+        "Initial negative inner SEI on cracks thickness [m]": 2.5e-13,
+        "Initial negative outer SEI on cracks thickness [m]": 2.5e-13,
+        "Negative EC initial concentration in electrolyte [mol.m-3]": 4541.0,
+        "EC diffusivity through negative SEI [m2.s-1]": 2e-18,
+        "Negative SEI kinetic rate constant [m.s-1]": 1e-12,
+        "Negative SEI open-circuit potential [V]": 0.4,
+        "Negative SEI growth activation energy [J.mol-1]": 0.0,
         "Negative electrode reaction-driven LAM factor [m3.mol-1]": 0.0,
         "Positive electrode reaction-driven LAM factor [m3.mol-1]": 0.0,
         # cell

src/pybamm/input/parameters/lithium_ion/Chen2020.py

@@ -226,26 +226,26 @@ def get_parameter_values():
     return {
         "chemistry": "lithium_ion",
         # sei
-        "Ratio of lithium moles to SEI moles": 2.0,
-        "Inner SEI reaction proportion": 0.5,
-        "Inner SEI partial molar volume [m3.mol-1]": 9.585e-05,
-        "Outer SEI partial molar volume [m3.mol-1]": 9.585e-05,
-        "SEI reaction exchange current density [A.m-2]": 1.5e-07,
-        "SEI resistivity [Ohm.m]": 200000.0,
-        "Outer SEI solvent diffusivity [m2.s-1]": 2.5000000000000002e-22,
-        "Bulk solvent concentration [mol.m-3]": 2636.0,
-        "Inner SEI open-circuit potential [V]": 0.1,
-        "Outer SEI open-circuit potential [V]": 0.8,
-        "Inner SEI electron conductivity [S.m-1]": 8.95e-14,
-        "Inner SEI lithium interstitial diffusivity [m2.s-1]": 1e-20,
-        "Lithium interstitial reference concentration [mol.m-3]": 15.0,
-        "Initial inner SEI thickness [m]": 2.5e-09,
-        "Initial outer SEI thickness [m]": 2.5e-09,
-        "EC initial concentration in electrolyte [mol.m-3]": 4541.0,
-        "EC diffusivity [m2.s-1]": 2e-18,
-        "SEI kinetic rate constant [m.s-1]": 1e-12,
-        "SEI open-circuit potential [V]": 0.4,
-        "SEI growth activation energy [J.mol-1]": 0.0,
+        "Ratio of lithium moles to negative SEI moles": 2.0,
+        "Negative inner SEI reaction proportion": 0.5,
+        "Negative inner SEI partial molar volume [m3.mol-1]": 9.585e-05,
+        "Negative outer SEI partial molar volume [m3.mol-1]": 9.585e-05,
+        "Negative SEI reaction exchange current density [A.m-2]": 1.5e-07,
+        "Negative SEI resistivity [Ohm.m]": 200000.0,
+        "Negative outer SEI solvent diffusivity [m2.s-1]": 2.5000000000000002e-22,
+        "Bulk solvent concentration for negative SEI [mol.m-3]": 2636.0,
+        "Negative inner SEI open-circuit potential [V]": 0.1,
+        "Negative outer SEI open-circuit potential [V]": 0.8,
+        "Negative inner SEI electron conductivity [S.m-1]": 8.95e-14,
+        "Negative inner SEI lithium interstitial diffusivity [m2.s-1]": 1e-20,
+        "Negative lithium interstitial reference concentration [mol.m-3]": 15.0,
+        "Initial negative inner SEI thickness [m]": 2.5e-09,
+        "Initial negative outer SEI thickness [m]": 2.5e-09,
+        "Negative EC initial concentration in electrolyte [mol.m-3]": 4541.0,
+        "EC diffusivity through negative SEI [m2.s-1]": 2e-18,
+        "Negative SEI kinetic rate constant [m.s-1]": 1e-12,
+        "Negative SEI open-circuit potential [V]": 0.4,
+        "Negative SEI growth activation energy [J.mol-1]": 0.0,
         "Negative electrode reaction-driven LAM factor [m3.mol-1]": 0.0,
         "Positive electrode reaction-driven LAM factor [m3.mol-1]": 0.0,
         # cell

src/pybamm/input/parameters/lithium_ion/Chen2020_composite.py

@@ -327,46 +327,51 @@ def get_parameter_values():
     return {
         "chemistry": "lithium_ion",
         # sei
-        "Primary: Ratio of lithium moles to SEI moles": 2.0,
-        "Primary: Inner SEI reaction proportion": 0.5,
-        "Primary: Inner SEI partial molar volume [m3.mol-1]": 9.585e-05,
-        "Primary: Outer SEI partial molar volume [m3.mol-1]": 9.585e-05,
-        "Primary: SEI reaction exchange current density [A.m-2]": 1.5e-07,
-        "Primary: SEI resistivity [Ohm.m]": 200000.0,
-        "Primary: Outer SEI solvent diffusivity [m2.s-1]": 2.5000000000000002e-22,
-        "Primary: Bulk solvent concentration [mol.m-3]": 2636.0,
-        "Primary: Inner SEI open-circuit potential [V]": 0.1,
-        "Primary: Outer SEI open-circuit potential [V]": 0.8,
-        "Primary: Inner SEI electron conductivity [S.m-1]": 8.95e-14,
-        "Primary: Inner SEI lithium interstitial diffusivity [m2.s-1]": 1e-20,
-        "Primary: Lithium interstitial reference concentration [mol.m-3]": 15.0,
-        "Primary: Initial inner SEI thickness [m]": 2.5e-09,
-        "Primary: Initial outer SEI thickness [m]": 2.5e-09,
-        "Primary: EC initial concentration in electrolyte [mol.m-3]": 4541.0,
-        "Primary: EC diffusivity [m2.s-1]": 2e-18,
-        "Primary: SEI kinetic rate constant [m.s-1]": 1e-12,
-        "Primary: SEI open-circuit potential [V]": 0.4,
-        "Primary: SEI growth activation energy [J.mol-1]": 0.0,
-        "Secondary: Ratio of lithium moles to SEI moles": 2.0,
-        "Secondary: Inner SEI reaction proportion": 0.5,
-        "Secondary: Inner SEI partial molar volume [m3.mol-1]": 9.585e-05,
-        "Secondary: Outer SEI partial molar volume [m3.mol-1]": 9.585e-05,
-        "Secondary: SEI reaction exchange current density [A.m-2]": 1.5e-07,
-        "Secondary: SEI resistivity [Ohm.m]": 200000.0,
-        "Secondary: Outer SEI solvent diffusivity [m2.s-1]": 2.5000000000000002e-22,
-        "Secondary: Bulk solvent concentration [mol.m-3]": 2636.0,
-        "Secondary: Inner SEI open-circuit potential [V]": 0.1,
-        "Secondary: Outer SEI open-circuit potential [V]": 0.8,
-        "Secondary: Inner SEI electron conductivity [S.m-1]": 8.95e-14,
-        "Secondary: Inner SEI lithium interstitial diffusivity [m2.s-1]": 1e-20,
-        "Secondary: Lithium interstitial reference concentration [mol.m-3]": 15.0,
-        "Secondary: Initial inner SEI thickness [m]": 2.5e-09,
-        "Secondary: Initial outer SEI thickness [m]": 2.5e-09,
-        "Secondary: EC initial concentration in electrolyte [mol.m-3]": 4541.0,
-        "Secondary: EC diffusivity [m2.s-1]": 2e-18,
-        "Secondary: SEI kinetic rate constant [m.s-1]": 1e-12,
-        "Secondary: SEI open-circuit potential [V]": 0.4,
-        "Secondary: SEI growth activation energy [J.mol-1]": 0.0,
+        "Primary: Ratio of lithium moles to negative SEI moles": 2.0,
+        "Primary: Negative inner SEI reaction proportion": 0.5,
+        "Primary: Negative inner SEI partial molar volume [m3.mol-1]": 9.585e-05,
+        "Primary: Negative outer SEI partial molar volume [m3.mol-1]": 9.585e-05,
+        "Primary: Negative SEI reaction exchange current density [A.m-2]": 1.5e-07,
+        "Primary: Negative SEI resistivity [Ohm.m]": 200000.0,
+        "Primary: Negative outer SEI solvent diffusivity [m2.s-1]"
+        "": 2.5000000000000002e-22,
+        "Primary: Bulk solvent concentration for negative SEI [mol.m-3]": 2636.0,
+        "Primary: Negative inner SEI open-circuit potential [V]": 0.1,
+        "Primary: Negative outer SEI open-circuit potential [V]": 0.8,
+        "Primary: Negative inner SEI electron conductivity [S.m-1]": 8.95e-14,
+        "Primary: Negative inner SEI lithium interstitial diffusivity [m2.s-1]": 1e-20,
+        "Primary: Negative lithium interstitial reference concentration [mol.m-3]"
+        "": 15.0,
+        "Primary: Initial negative inner SEI thickness [m]": 2.5e-09,
+        "Primary: Initial negative outer SEI thickness [m]": 2.5e-09,
+        "Primary: Negative EC initial concentration in electrolyte [mol.m-3]": 4541.0,
+        "Primary: EC diffusivity through negative SEI [m2.s-1]": 2e-18,
+        "Primary: Negative SEI kinetic rate constant [m.s-1]": 1e-12,
+        "Primary: Negative SEI open-circuit potential [V]": 0.4,
+        "Primary: Negative SEI growth activation energy [J.mol-1]": 0.0,
+        "Secondary: Ratio of lithium moles to negative SEI moles": 2.0,
+        "Secondary: Negative inner SEI reaction proportion": 0.5,
+        "Secondary: Negative inner SEI partial molar volume [m3.mol-1]": 9.585e-05,
+        "Secondary: Negative outer SEI partial molar volume [m3.mol-1]": 9.585e-05,
+        "Secondary: Negative SEI reaction exchange current density [A.m-2]": 1.5e-07,
+        "Secondary: Negative SEI resistivity [Ohm.m]": 200000.0,
+        "Secondary: Negative outer SEI solvent diffusivity [m2.s-1]"
+        "": 2.5000000000000002e-22,
+        "Secondary: Bulk solvent concentration for negative SEI [mol.m-3]": 2636.0,
+        "Secondary: Negative inner SEI open-circuit potential [V]": 0.1,
+        "Secondary: Negative outer SEI open-circuit potential [V]": 0.8,
+        "Secondary: Negative inner SEI electron conductivity [S.m-1]": 8.95e-14,
+        "Secondary: Negative inner SEI lithium interstitial diffusivity [m2.s-1]"
+        "": 1e-20,
+        "Secondary: Negative lithium interstitial reference concentration [mol.m-3]"
+        "": 15.0,
+        "Secondary: Initial negative inner SEI thickness [m]": 2.5e-09,
+        "Secondary: Initial negative outer SEI thickness [m]": 2.5e-09,
+        "Secondary: Negative EC initial concentration in electrolyte [mol.m-3]": 4541.0,
+        "Secondary: EC diffusivity through negative SEI [m2.s-1]": 2e-18,
+        "Secondary: Negative SEI kinetic rate constant [m.s-1]": 1e-12,
+        "Secondary: Negative SEI open-circuit potential [V]": 0.4,
+        "Secondary: Negative SEI growth activation energy [J.mol-1]": 0.0,
         "Positive electrode reaction-driven LAM factor [m3.mol-1]": 0.0,
         # cell
         "Negative current collector thickness [m]": 1.2e-05,