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Merge pull request #1257 from pybamm-team/issue-1207-composite-surface
#1207 add composite surface form
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6 changes: 6 additions & 0 deletions
6
pybamm/models/submodels/electrolyte_conductivity/surface_potential_form/__init__.py
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158
...ls/electrolyte_conductivity/surface_potential_form/composite_surface_form_conductivity.py
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,158 @@ | ||
| # | ||
| # Class for composite surface form electrolyte conductivity employing stefan-maxwell | ||
| # | ||
| import pybamm | ||
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| from ..composite_conductivity import Composite | ||
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| class BaseModel(Composite): | ||
| """ | ||
| Base class for composite conservation of charge in the electrolyte employing | ||
| the Stefan-Maxwell constitutive equations employing the surface potential difference | ||
| formulation. | ||
| Parameters | ||
| ---------- | ||
| param : parameter class | ||
| The parameters to use for this submodel | ||
| domain : str | ||
| The domain in which the model holds | ||
| reactions : dict | ||
| Dictionary of reaction terms | ||
| **Extends:** :class:`pybamm.electrolyte_conductivity.Composite` | ||
| """ | ||
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| def __init__(self, param, domain): | ||
| super().__init__(param, domain) | ||
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| def get_fundamental_variables(self): | ||
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| if self.domain == "Negative": | ||
| delta_phi = pybamm.standard_variables.delta_phi_n_av | ||
| elif self.domain == "Separator": | ||
| return {} | ||
| elif self.domain == "Positive": | ||
| delta_phi = pybamm.standard_variables.delta_phi_p_av | ||
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| variables = self._get_standard_surface_potential_difference_variables(delta_phi) | ||
| return variables | ||
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| def set_initial_conditions(self, variables): | ||
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| if self.domain == "Separator": | ||
| return | ||
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| delta_phi = variables[ | ||
| "X-averaged " | ||
| + self.domain.lower() | ||
| + " electrode surface potential difference" | ||
| ] | ||
| if self.domain == "Negative": | ||
| delta_phi_init = self.param.U_n(self.param.c_n_init(0), self.param.T_init) | ||
| elif self.domain == "Positive": | ||
| delta_phi_init = self.param.U_p(self.param.c_p_init(1), self.param.T_init) | ||
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| self.initial_conditions = {delta_phi: delta_phi_init} | ||
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| def set_boundary_conditions(self, variables): | ||
| if self.domain == "Negative": | ||
| phi_e = variables["Electrolyte potential"] | ||
| self.boundary_conditions = { | ||
| phi_e: { | ||
| "left": (pybamm.Scalar(0), "Neumann"), | ||
| "right": (pybamm.Scalar(0), "Neumann"), | ||
| } | ||
| } | ||
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| class CompositeDifferential(BaseModel): | ||
| """ | ||
| Composite model for conservation of charge in the electrolyte employing the | ||
| Stefan-Maxwell constitutive equations employing the surface potential difference | ||
| formulation and where capacitance is present. | ||
| Parameters | ||
| ---------- | ||
| param : parameter class | ||
| The parameters to use for this submodel | ||
| **Extends:** :class:`BaseModel` | ||
| """ | ||
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| def __init__(self, param, domain): | ||
| super().__init__(param, domain) | ||
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| def set_rhs(self, variables): | ||
| if self.domain == "Separator": | ||
| return | ||
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| param = self.param | ||
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| sum_j = variables[ | ||
| "Sum of x-averaged " | ||
| + self.domain.lower() | ||
| + " electrode interfacial current densities" | ||
| ] | ||
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| sum_j_av = variables[ | ||
| "X-averaged " | ||
| + self.domain.lower() | ||
| + " electrode total interfacial current density" | ||
| ] | ||
| delta_phi = variables[ | ||
| "X-averaged " | ||
| + self.domain.lower() | ||
| + " electrode surface potential difference" | ||
| ] | ||
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| if self.domain == "Negative": | ||
| C_dl = param.C_dl_n | ||
| elif self.domain == "Positive": | ||
| C_dl = param.C_dl_p | ||
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| self.rhs[delta_phi] = 1 / C_dl * (sum_j_av - sum_j) | ||
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| class CompositeAlgebraic(BaseModel): | ||
| """ | ||
| Composite model for conservation of charge in the electrolyte employing the | ||
| Stefan-Maxwell constitutive equations employing the surface potential difference | ||
| formulation. | ||
| Parameters | ||
| ---------- | ||
| param : parameter class | ||
| The parameters to use for this submodel | ||
| **Extends:** :class:`BaseModel` | ||
| """ | ||
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| def __init__(self, param, domain): | ||
| super().__init__(param, domain) | ||
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| def set_algebraic(self, variables): | ||
| if self.domain == "Separator": | ||
| return | ||
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| sum_j = variables[ | ||
| "Sum of x-averaged " | ||
| + self.domain.lower() | ||
| + " electrode interfacial current densities" | ||
| ] | ||
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| sum_j_av = variables[ | ||
| "X-averaged " | ||
| + self.domain.lower() | ||
| + " electrode total interfacial current density" | ||
| ] | ||
| delta_phi = variables[ | ||
| "X-averaged " | ||
| + self.domain.lower() | ||
| + " electrode surface potential difference" | ||
| ] | ||
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| self.algebraic[delta_phi] = sum_j_av - sum_j |
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76 changes: 76 additions & 0 deletions
76
...st_electrolyte_conductivity/test_surface_form/test_composite_surface_form_conductivity.py
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,76 @@ | ||
| # | ||
| # Test leading surface form stefan maxwell electrolyte conductivity submodel | ||
| # | ||
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| import pybamm | ||
| import tests | ||
| import unittest | ||
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| class TestCompositeModel(unittest.TestCase): | ||
| def test_public_functions(self): | ||
| param = pybamm.LithiumIonParameters() | ||
| a = pybamm.PrimaryBroadcast(0, "current collector") | ||
| a_n = pybamm.FullBroadcast( | ||
| pybamm.Scalar(0), ["negative electrode"], "current collector" | ||
| ) | ||
| a_s = pybamm.FullBroadcast(pybamm.Scalar(0), ["separator"], "current collector") | ||
| a_p = pybamm.FullBroadcast( | ||
| pybamm.Scalar(0), ["positive electrode"], "current collector" | ||
| ) | ||
| c_e_n = pybamm.standard_variables.c_e_n | ||
| c_e_s = pybamm.standard_variables.c_e_s | ||
| c_e_p = pybamm.standard_variables.c_e_p | ||
| variables = { | ||
| "Leading-order current collector current density": a, | ||
| "Negative electrolyte concentration": c_e_n, | ||
| "Separator electrolyte concentration": c_e_s, | ||
| "Positive electrolyte concentration": c_e_p, | ||
| "X-averaged electrolyte concentration": a, | ||
| "X-averaged negative electrode potential": a, | ||
| "X-averaged negative electrode surface potential difference": a, | ||
| "Leading-order x-averaged negative electrode porosity": a, | ||
| "Leading-order x-averaged separator porosity": a, | ||
| "Leading-order x-averaged positive electrode porosity": a, | ||
| "Leading-order x-averaged negative electrolyte tortuosity": a, | ||
| "Leading-order x-averaged separator tortuosity": a, | ||
| "Leading-order x-averaged positive electrolyte tortuosity": a, | ||
| "X-averaged cell temperature": a, | ||
| "Current collector current density": a, | ||
| "Negative electrode porosity": a_n, | ||
| "Sum of x-averaged negative electrode interfacial current densities": a, | ||
| "X-averaged negative electrode total interfacial current density": a, | ||
| "Current collector current density": a, | ||
| "Negative electrolyte potential": a_n, | ||
| "Negative electrolyte current density": a_n, | ||
| "Separator electrolyte potential": a_s, | ||
| "Separator electrolyte current density": a_s, | ||
| "Positive electrode porosity": a_p, | ||
| "Sum of x-averaged positive electrode interfacial current densities": a, | ||
| "X-averaged positive electrode total interfacial current density": a, | ||
| } | ||
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| spf = pybamm.electrolyte_conductivity.surface_potential_form | ||
| submodel = spf.CompositeAlgebraic(param, "Negative") | ||
| std_tests = tests.StandardSubModelTests(submodel, variables) | ||
| std_tests.test_all() | ||
| submodel = spf.CompositeDifferential(param, "Negative") | ||
| std_tests = tests.StandardSubModelTests(submodel, variables) | ||
| std_tests.test_all() | ||
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| submodel = spf.CompositeAlgebraic(param, "Positive") | ||
| std_tests = tests.StandardSubModelTests(submodel, variables) | ||
| std_tests.test_all() | ||
| submodel = spf.CompositeDifferential(param, "Positive") | ||
| std_tests = tests.StandardSubModelTests(submodel, variables) | ||
| std_tests.test_all() | ||
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| if __name__ == "__main__": | ||
| print("Add -v for more debug output") | ||
| import sys | ||
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| if "-v" in sys.argv: | ||
| debug = True | ||
| pybamm.settings.debug_mode = True | ||
| unittest.main() |