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Composite porosity (#4417)
* Started modifying porosity change submodel to work with phases * Porosity now works on composite electrode * Now works for non-composite electrode as well! * style: pre-commit fixes * changelog * style fix * Updated tests * Changed how pref is handled * Added comments to the new if statements * Why did I not think of this before?! * Fixed merge conflict * Removed one last reference to inner and outer * style: pre-commit fixes * Refactored if statement in reaction_driven_porosity.py * changelog * Added comment for Asher * style: pre-commit fixes * Fixed roughness error in reaction_driven_porosity.py * style: pre-commit fixes * Should now work for composite SEI on cracks... * style: pre-commit fixes * Deleted mechanics_option as it's not needed * style: pre-commit fixes --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Ferran Brosa Planella <[email protected]> Co-authored-by: Eric G. Kratz <[email protected]>
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‎CHANGELOG.md‎

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## Features
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- Added a `dt_min` option to the (`IDAKLUSolver`). ([#4736](https://github.com/pybamm-team/PyBaMM/pull/4736))
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- Automatically add state variables of the model to the output variables if they are not already present ([#4700](https://github.com/pybamm-team/PyBaMM/pull/4700))
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- Enabled using SEI models with particle size distributions. ([#4693](https://github.com/pybamm-team/PyBaMM/pull/4693))
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- Added symbolic mesh which allows for using InputParameters for geometric parameters ([#4665](https://github.com/pybamm-team/PyBaMM/pull/4665))
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- Enhanced the `search` method to accept multiple search terms in the form of a string or a list. ([#4650](https://github.com/pybamm-team/PyBaMM/pull/4650))
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- Made composite electrode model compatible with particle size distribution ([#4687](https://github.com/pybamm-team/PyBaMM/pull/4687))
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- Added `Symbol.post_order()` method to return an iterable that steps through the tree in post-order fashion. ([#4684](https://github.com/pybamm-team/PyBaMM/pull/4684))
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- Porosity change now works for composite electrode ([#4417](https://github.com/pybamm-team/PyBaMM/pull/4417))
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- Added two more submodels (options) for the SEI: Lars von Kolzenberg (2020) model and Tunneling Limit model ([#4394](https://github.com/pybamm-team/PyBaMM/pull/4394))
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- Automatically add state variables of the model to the output variables if they are not already present ([#4700](https://github.com/pybamm-team/PyBaMM/pull/4700))
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## Breaking changes
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‎docs/source/examples/notebooks/models/coupled-degradation.ipynb‎

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‎src/pybamm/models/submodels/porosity/reaction_driven_porosity.py‎

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@@ -25,36 +25,61 @@ def __init__(self, param, options, x_average):
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def get_coupled_variables(self, variables):
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eps_dict = {}
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for domain in self.options.whole_cell_domains:
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if domain == "separator":
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delta_eps_k = 0 # separator porosity does not change
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else:
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Domain = domain.split()[0].capitalize()
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L_sei_k = variables[f"{Domain} total SEI thickness [m]"]
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delta_eps_k = 0
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if domain != "separator": # separator porosity does not change
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dom = domain.split()[0]
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Domain = dom.capitalize()
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if Domain == "Negative":
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L_sei_0 = self.param.n.prim.L_sei_0
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elif Domain == "Positive":
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L_sei_0 = self.param.p.prim.L_sei_0
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L_pl_k = variables[f"{Domain} lithium plating thickness [m]"]
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L_dead_k = variables[f"{Domain} dead lithium thickness [m]"]
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L_sei_cr_k = variables[f"{Domain} total SEI on cracks thickness [m]"]
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roughness_k = variables[f"{Domain} electrode roughness ratio"]
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SEI_option = getattr(self.options, dom)["SEI"]
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phases_option = getattr(self.options, dom)["particle phases"]
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phases = self.options.phases[dom]
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for phase in phases:
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if phases_option == "1" and phase == "primary":
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# `domain` has one phase
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phase_name = ""
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pref = ""
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else:
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# `domain` has more than one phase
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phase_name = phase + " "
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pref = phase.capitalize() + ": "
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L_sei_k = variables[f"{Domain} total {phase_name}SEI thickness [m]"]
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if SEI_option == "none":
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L_sei_0 = pybamm.Scalar(0)
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else:
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L_sei_0 = pybamm.Parameter(f"{pref}Initial SEI thickness [m]")
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L_pl_k = variables[
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f"{Domain} {phase_name}lithium plating thickness [m]"
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]
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L_dead_k = variables[
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f"{Domain} {phase_name}dead lithium thickness [m]"
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]
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L_sei_cr_k = variables[
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f"{Domain} total {phase_name}SEI on cracks thickness [m]"
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]
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roughness_k = variables[
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f"{Domain} {phase_name}electrode roughness ratio"
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]
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L_tot = (
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(L_sei_k - L_sei_0)
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+ L_pl_k
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+ L_dead_k
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+ L_sei_cr_k * (roughness_k - 1)
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)
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L_tot = (
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(L_sei_k - L_sei_0)
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+ L_pl_k
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+ L_dead_k
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+ L_sei_cr_k * (roughness_k - 1)
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)
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a_k = variables[
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f"{Domain} electrode surface area to volume ratio [m-1]"
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]
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a_k = variables[
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f"{Domain} electrode {phase_name}"
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"surface area to volume ratio [m-1]"
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]
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# This assumes a thin film so curvature effects are neglected.
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# They could be included (e.g. for a sphere it is
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# a_n * (L_tot + L_tot ** 2 / R_n + L_tot ** # 3 / (3 * R_n ** 2)))
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# but it is not clear if it is relevant or not.
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delta_eps_k = -a_k * L_tot
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# This assumes a thin film so curvature effects are neglected.
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# They could be included (e.g. for a sphere it is
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# a_n * (L_tot + L_tot ** 2 / R_n + L_tot ** # 3 / (3 * R_n ** 2)))
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# but it is not clear if it is relevant or not.
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delta_eps_k += -a_k * L_tot
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domain_param = self.param.domain_params[domain.split()[0]]
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eps_k = domain_param.epsilon_init + delta_eps_k

‎tests/integration/test_models/test_full_battery_models/test_lithium_ion/base_lithium_ion_tests.py‎

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@@ -350,6 +350,7 @@ def test_composite_graphite_silicon_sei(self):
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"particle phases": ("2", "1"),
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"open-circuit potential": (("single", "current sigmoid"), "single"),
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"SEI": "ec reaction limited",
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"SEI porosity change": "true",
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}
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parameter_values = pybamm.ParameterValues("Chen2020_composite")
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name = "Negative electrode active material volume fraction"

‎tests/unit/test_models/test_full_battery_models/test_lithium_ion/base_lithium_ion_tests.py‎

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@@ -581,6 +581,7 @@ def test_well_posed_composite_different_degradation(self):
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options = {
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"particle phases": ("2", "1"),
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"SEI": ("ec reaction limited", "none"),
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"SEI porosity change": "true",
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"lithium plating": ("reversible", "none"),
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"open-circuit potential": (("current sigmoid", "single"), "single"),
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}
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options = {
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"particle phases": ("2", "1"),
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"SEI": (("ec reaction limited", "solvent-diffusion limited"), "none"),
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"SEI porosity change": "true",
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"lithium plating": (("reversible", "irreversible"), "none"),
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"open-circuit potential": (("current sigmoid", "single"), "single"),
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}

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