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pybamm-team#1048 added base Landesfeind functions
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.../input/parameters/lithium-ion/electrolytes/lipf6_base_Landesfeind2019/README.md
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# LiPF6 in solvent_X electrolyte parameters | ||
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Functional forms for which parameters are fitted for a LiPF6 in solvent_X electrolyte, from the paper | ||
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> Johannes Landesfeind and Hubert A. Gasteiger, ["Temperature and Concentration Dependence of the Ionic Transport Properties of Lithium-Ion Battery Electrolytes."](https://iopscience.iop.org/article/10.1149/2.0571912jes) Journal of the Electrochemical Society 166 (2019): A3079. |
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pybamm/input/parameters/lithium-ion/electrolytes/lipf6_base_Landesfeind2019/__init__.py
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from .electrolyte_conductivity_base_Landesfeind2019 import ( | ||
electrolyte_conductivity_base_Landesfeind2019, | ||
) | ||
from .electrolyte_diffusivity_base_Landesfeind2019 import ( | ||
electrolyte_diffusivity_base_Landesfeind2019, | ||
) | ||
from .electrolyte_TDF_base_Landesfeind2019 import electrolyte_TDF_base_Landesfeind2019 | ||
from .electrolyte_transference_number_base_Landesfeind2019 import ( | ||
electrolyte_transference_number_base_Landesfeind2019, | ||
) |
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...thium-ion/electrolytes/lipf6_base_Landesfeind2019/electrolyte_TDF_base_Landesfeind2019.py
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def electrolyte_TDF_base_Landesfeind2019(c_e, T, coeffs): | ||
""" | ||
Thermodynamic factor (TDF) of LiPF6 in solvent_X as a function of ion concentration | ||
and temperature. The data comes from [1]. | ||
References | ||
---------- | ||
.. [1] Landesfeind, J. and Gasteiger, H.A., 2019. Temperature and Concentration | ||
Dependence of the Ionic Transport Properties of Lithium-Ion Battery Electrolytes. | ||
Journal of The Electrochemical Society, 166(14), pp.A3079-A3097. | ||
---------- | ||
c_e: :class:`pybamm.Symbol` | ||
Dimensional electrolyte concentration | ||
T: :class:`pybamm.Symbol` | ||
Dimensional temperature | ||
coeffs: :class:`pybamm.Symbol` | ||
Fitting parameter coefficients | ||
Returns | ||
------- | ||
:class:`pybamm.Symbol` | ||
Electrolyte thermodynamic factor | ||
""" | ||
c = c_e / 1000 # mol.m-3 -> mol.l | ||
p1, p2, p3, p4, p5, p6, p7, p8, p9 = coeffs | ||
tdf = ( | ||
p1 | ||
+ p2 * c | ||
+ p3 * T | ||
+ p4 * c ** 2 | ||
+ p5 * c * T | ||
+ p6 * T ** 2 | ||
+ p7 * c ** 3 | ||
+ p8 * c ** 2 * T | ||
+ p9 * c * T ** 2 | ||
) | ||
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return tdf |
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.../electrolytes/lipf6_base_Landesfeind2019/electrolyte_conductivity_base_Landesfeind2019.py
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from pybamm import exp, sqrt | ||
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def electrolyte_conductivity_base_Landesfeind2019(c_e, T, coeffs): | ||
""" | ||
Conductivity of LiPF6 in solvent_X as a function of ion concentration and | ||
temperature. The data comes from [1]. | ||
References | ||
---------- | ||
.. [1] Landesfeind, J. and Gasteiger, H.A., 2019. Temperature and Concentration | ||
Dependence of the Ionic Transport Properties of Lithium-Ion Battery Electrolytes. | ||
Journal of The Electrochemical Society, 166(14), pp.A3079-A3097. | ||
---------- | ||
c_e: :class:`pybamm.Symbol` | ||
Dimensional electrolyte concentration | ||
T: :class:`pybamm.Symbol` | ||
Dimensional temperature | ||
coeffs: :class:`pybamm.Symbol` | ||
Fitting parameter coefficients | ||
Returns | ||
------- | ||
:class:`pybamm.Symbol` | ||
Electrolyte conductivity | ||
""" | ||
c = c_e / 1000 # mol.m-3 -> mol.l | ||
p1, p2, p3, p4, p5, p6 = coeffs | ||
A = p1 * (1 + (T - p2)) | ||
B = 1 + p3 * sqrt(c) + p4 * (1 + p5 * exp(1000 / T)) * c | ||
C = 1 + c ** 4 * (p6 * exp(1000 / T)) | ||
sigma_e = A * c * B / C # mS.cm-1 | ||
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return sigma_e / 10 |
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...n/electrolytes/lipf6_base_Landesfeind2019/electrolyte_diffusivity_base_Landesfeind2019.py
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from pybamm import exp | ||
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def electrolyte_diffusivity_base_Landesfeind2019(c_e, T, coeffs): | ||
""" | ||
Diffusivity of LiPF6 in solvent_X as a function of ion concentration and | ||
temperature. The data comes from [1]. | ||
References | ||
---------- | ||
.. [1] Landesfeind, J. and Gasteiger, H.A., 2019. Temperature and Concentration | ||
Dependence of the Ionic Transport Properties of Lithium-Ion Battery Electrolytes. | ||
Journal of The Electrochemical Society, 166(14), pp.A3079-A3097. | ||
---------- | ||
c_e: :class:`pybamm.Symbol` | ||
Dimensional electrolyte concentration | ||
T: :class:`pybamm.Symbol` | ||
Dimensional temperature | ||
coeffs: :class:`pybamm.Symbol` | ||
Fitting parameter coefficients | ||
Returns | ||
------- | ||
:class:`pybamm.Symbol` | ||
Electrolyte diffusivity | ||
""" | ||
c = c_e / 1000 # mol.m-3 -> mol.l | ||
p1, p2, p3, p4 = coeffs | ||
A = p1 * exp(p2 * c) | ||
B = exp(p3 / T) | ||
C = exp(p4 * c / T) | ||
D_e = A * B * C * 1e-10 # m2/s | ||
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return D_e |
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...olytes/lipf6_base_Landesfeind2019/electrolyte_transference_number_base_Landesfeind2019.py
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def electrolyte_transference_number_base_Landesfeind2019(c_e, T, coeffs): | ||
""" | ||
Transference number of LiPF6 in solvent_X as a function of ion concentration and | ||
temperature. The data comes from [1]. | ||
References | ||
---------- | ||
.. [1] Landesfeind, J. and Gasteiger, H.A., 2019. Temperature and Concentration | ||
Dependence of the Ionic Transport Properties of Lithium-Ion Battery Electrolytes. | ||
Journal of The Electrochemical Society, 166(14), pp.A3079-A3097. | ||
---------- | ||
c_e: :class:`pybamm.Symbol` | ||
Dimensional electrolyte concentration | ||
T: :class:`pybamm.Symbol` | ||
Dimensional temperature | ||
coeffs: :class:`pybamm.Symbol` | ||
Fitting parameter coefficients | ||
Returns | ||
------- | ||
:class:`pybamm.Symbol` | ||
Electrolyte transference number | ||
""" | ||
c = c_e / 1000 # mol.m-3 -> mol.l | ||
p1, p2, p3, p4, p5, p6, p7, p8, p9 = coeffs | ||
tplus = ( | ||
p1 | ||
+ p2 * c | ||
+ p3 * T | ||
+ p4 * c ** 2 | ||
+ p5 * c * T | ||
+ p6 * T ** 2 | ||
+ p7 * c ** 3 | ||
+ p8 * c ** 2 * T | ||
+ p9 * c * T ** 2 | ||
) | ||
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return tplus |