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update effective conductivity #2638

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Jan 31, 2023
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update effective conductivity #2638

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faa9a23
update effective conductivity
rtimms Jan 30, 2023
831d41e
changelog
rtimms Jan 30, 2023
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1 change: 1 addition & 0 deletions CHANGELOG.md
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Original file line number Diff line number Diff line change
Expand Up @@ -9,6 +9,7 @@

## Bug fixes

- Fixed a bug where the solid phase conductivity was double-corrected for tortuosity when loading parameters from a BPX file ([#2638](https://github.com/pybamm-team/PyBaMM/pull/2638)).
- Changed termination from "success" to "final time" for algebraic solvers to match ODE/DAE solvers ([#2613](https://github.com/pybamm-team/PyBaMM/pull/2613)).

# [v22.12](https://github.com/pybamm-team/PyBaMM/tree/v22.12) - 2022-12-31
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4 changes: 2 additions & 2 deletions pybamm/input/parameters/lithium_ion/Chen2020.py
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Expand Up @@ -305,7 +305,7 @@ def get_parameter_values():
"Negative electrode active material volume fraction": 0.75,
"Negative particle radius [m]": 5.86e-06,
"Negative electrode Bruggeman coefficient (electrolyte)": 1.5,
"Negative electrode Bruggeman coefficient (electrode)": 1.5,
"Negative electrode Bruggeman coefficient (electrode)": 0,
"Negative electrode cation signed stoichiometry": -1.0,
"Negative electrode electrons in reaction": 1.0,
"Negative electrode charge transfer coefficient": 0.5,
Expand All @@ -325,7 +325,7 @@ def get_parameter_values():
"Positive electrode active material volume fraction": 0.665,
"Positive particle radius [m]": 5.22e-06,
"Positive electrode Bruggeman coefficient (electrolyte)": 1.5,
"Positive electrode Bruggeman coefficient (electrode)": 1.5,
"Positive electrode Bruggeman coefficient (electrode)": 0,
"Positive electrode cation signed stoichiometry": -1.0,
"Positive electrode electrons in reaction": 1.0,
"Positive electrode charge transfer coefficient": 0.5,
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4 changes: 2 additions & 2 deletions pybamm/input/parameters/lithium_ion/Chen2020_composite.py
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Expand Up @@ -406,7 +406,7 @@ def get_parameter_values():
"Primary: Negative electrode active material volume fraction": 0.735,
"Primary: Negative particle radius [m]": 5.86e-06,
"Negative electrode Bruggeman coefficient (electrolyte)": 1.5,
"Negative electrode Bruggeman coefficient (electrode)": 1.5,
"Negative electrode Bruggeman coefficient (electrode)": 0,
"Negative electrode cation signed stoichiometry": -1.0,
"Primary: Negative electrode electrons in reaction": 1.0,
"Negative electrode charge transfer coefficient": 0.5,
Expand Down Expand Up @@ -440,7 +440,7 @@ def get_parameter_values():
"Positive electrode active material volume fraction": 0.665,
"Positive particle radius [m]": 5.22e-06,
"Positive electrode Bruggeman coefficient (electrolyte)": 1.5,
"Positive electrode Bruggeman coefficient (electrode)": 1.5,
"Positive electrode Bruggeman coefficient (electrode)": 0,
"Positive electrode cation signed stoichiometry": -1.0,
"Positive electrode electrons in reaction": 1.0,
"Positive electrode charge transfer coefficient": 0.5,
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12 changes: 10 additions & 2 deletions pybamm/parameters/bpx.py
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Expand Up @@ -87,10 +87,14 @@ def _bpx_to_param_dict(bpx: BPX) -> dict:
"Initial concentration in electrolyte [mol.m-3]"
]

# assume Bruggeman relation
# assume Bruggeman relation for effection electrolyte properties
for domain in [negative_electrode, separator, positive_electrode]:
pybamm_dict[domain.pre_name + "Bruggeman coefficient (electrolyte)"] = 1.5
pybamm_dict[domain.pre_name + "Bruggeman coefficient (electrode)"] = 1.5

# solid phase properties reported in BPX are already "effective",
# so no correction is applied
for domain in [negative_electrode, positive_electrode]:
pybamm_dict[domain.pre_name + "Bruggeman coefficient (electrode)"] = 0

# BPX is for single cell in series, user can change this later
pybamm_dict["Number of cells connected in series to make a battery"] = 1
Expand Down Expand Up @@ -194,6 +198,8 @@ def _positive_electrode_entropic_change(sto, c_s_max):
E_a_n = pybamm_dict.get(
negative_electrode.pre_name + "reaction rate activation energy [J.mol-1]", 0.0
)
# Note that in BPX j = 2*F*k_norm*sqrt((ce/ce0)*(c/c_max)*(1-c/c_max))*sinh(...),
# and in PyBaMM j = 2*k*sqrt(ce*c*(c_max - c))*sinh(...)
k_n = k_n_norm * F / (c_n_max * c_e**0.5)

def _negative_electrode_exchange_current_density(c_e, c_s_surf, c_s_max, T):
Expand Down Expand Up @@ -222,6 +228,8 @@ def _negative_electrode_exchange_current_density(c_e, c_s_surf, c_s_max, T):
E_a_p = pybamm_dict.get(
positive_electrode.pre_name + "reaction rate activation energy [J.mol-1]", 0.0
)
# Note that in BPX j = 2*F*k_norm*sqrt((ce/ce0)*(c/c_max)*(1-c/c_max))*sinh(...),
# and in PyBaMM j = 2*k*sqrt(ce*c*(c_max - c))*sinh(...)
k_p = k_p_norm * F / (c_p_max * c_e**0.5)

def _positive_electrode_exchange_current_density(c_e, c_s_surf, c_s_max, T):
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