Yang2017 Model

CHANGELOG.md

@@ -1,11 +1,11 @@
 # [Unreleased](https://github.com/pybamm-team/PyBaMM)
 
 ## Features
-
 -   Added `NewmanTobias` li-ion battery model ([#1423](https://github.com/pybamm-team/PyBaMM/pull/1423))
 -   Added `plot_voltage_components` to easily plot the component overpotentials that make up the voltage ([#1419](https://github.com/pybamm-team/PyBaMM/pull/1419))
 -   Made `QuickPlot` more customizable and added an example ([#1419](https://github.com/pybamm-team/PyBaMM/pull/1419))
 -   `Solution` objects can now be created by stepping *different* models ([#1408](https://github.com/pybamm-team/PyBaMM/pull/1408))
+-   Added Yang et al 2017 model that couples irreversible lithium plating, SEI growth and change in porosity which produces a transition from linear to nonlinear degradation pattern of lithium-ion battery over extended cycles([#1398](https://github.com/pybamm-team/PyBaMM/pull/1398))
 -   Added support for Python 3.9 and dropped support for Python 3.6. Python 3.6 may still work but is now untested ([#1370](https://github.com/pybamm-team/PyBaMM/pull/1370))
 -   Added the electrolyte overpotential and Ohmic losses for full conductivity, including surface form ([#1350](https://github.com/pybamm-team/PyBaMM/pull/1350))
 -   Added functionality to `Citations` to print formatted citations ([#1340](https://github.com/pybamm-team/PyBaMM/pull/1340))

docs/source/models/lithium_ion/index.rst

@@ -8,3 +8,4 @@ Lithium-ion Models
   spme
   dfn
   newman_tobias
+  yang2017

docs/source/models/lithium_ion/yang2017.rst

@@ -0,0 +1,6 @@
+Yang et al 2017
+===============
+
+.. autoclass:: pybamm.lithium_ion.Yang2017
+    :members:
+

examples/notebooks/using-submodels.ipynb

@@ -348,7 +348,7 @@
    "source": [
     "model.submodels[\"current collector\"] = pybamm.current_collector.Uniform(model.param)\n",
     "model.submodels[\"thermal\"] = pybamm.thermal.isothermal.Isothermal(model.param)\n",
-    "model.submodels[\"porosity\"] = pybamm.porosity.Constant(model.param)\n",
+    "model.submodels[\"porosity\"] = pybamm.porosity.Constant(model.param, model.options)\n",
     "model.submodels[\"negative active material\"] = pybamm.active_material.Constant(\n",
     "    model.param, \"Negative\", model.options\n",
     ")\n",

examples/scripts/custom_model.py

@@ -16,7 +16,7 @@
 )
 model.submodels["current collector"] = pybamm.current_collector.Uniform(model.param)
 model.submodels["thermal"] = pybamm.thermal.isothermal.Isothermal(model.param)
-model.submodels["porosity"] = pybamm.porosity.Constant(model.param)
+model.submodels["porosity"] = pybamm.porosity.Constant(model.param, model.options)
 model.submodels["negative active material"] = pybamm.active_material.Constant(
     model.param, "Negative", model.options
 )

pybamm/CITATIONS.txt

@@ -348,6 +348,19 @@ doi={10.1149/2.0661810jes}
   doi = {10.1006/jcph.2002.7041},
 }
 
+
+@article{Yang2017,
+  author = {Yang, Xiao Guang and Leng, Yongjun and Zhang, Guangsheng and Ge, Shanhai and Wang, Chao Yang},
+  title = {Modeling of lithium plating induced aging of lithium-ion batteries: Transition from linear to nonlinear aging},
+  journal = {Journal of Power Sources},
+  volume = {360},
+  pages = {28--40},
+  year = {2017},
+  publisher = {Elsevier},
+  doi = {10.1016/j.jpowsour.2017.05.110},
+}
+
+
 @article{Ramadass2004,
   title={Development of first principles capacity fade model for Li-ion cells},
   author={Ramadass, P and Haran, Bala and Gomadam, Parthasarathy M and White, Ralph and Popov, Branko N},
@@ -360,6 +373,7 @@ doi={10.1149/2.0661810jes}
   doi={10.1149/1.1634273},
 }
 
+
 @article{Newman1962,
   title={Theoretical analysis of current distribution in porous electrodes},
   author={Newman, John S and Tobias, Charles W},

pybamm/expression_tree/symbol.py

@@ -610,8 +610,8 @@ def diff(self, variable):
             return pybamm.Scalar(0)
 
     def _diff(self, variable):
-        """Default behaviour for differentiation, overriden by Binary and Unary Operators
-        """
+        """Default behaviour for differentiation, overriden by Binary
+        and Unary Operators"""
         raise NotImplementedError
 
     def jac(self, variable, known_jacs=None, clear_domain=True):

pybamm/input/parameters/lithium-ion/cells/Yang2017/parameters.csv

@@ -0,0 +1,34 @@
+Name [units],Value,Reference,Notes,,
+# Empty rows and rows starting with ‘#’ will be ignored,,,,,
+,,,,,
+# Macroscale geometry,,,,,
+Negative current collector thickness [m],2.50E-05,Scott Moura FastDFN,no info from Peyman MPM,,`
+Negative electrode thickness [m],4.87E-05,Yang 2017,,,
+Separator thickness [m],2.50E-05,Yang 2017,,,
+Positive electrode thickness [m],4.75E-05,Yang 2017,,,
+Positive current collector thickness [m],2.50E-05,Scott Moura FastDFN,no info from Peyman MPM,,
+Electrode height [m],1,KOKAM SLPB78205130H,Not needed for 1D,,
+Electrode width [m],0.205,KOKAM SLPB78205130H,Not needed for 1D,,
+Cell cooling surface area [m2],0.41,,pouch,,
+Cell volume [m3],3.92E-05,,pouch,,
+,,,,,
+# Current collector properties ,,,,,
+Negative current collector conductivity [S.m-1],59600000,LIONSIMBA,carbon,,
+Positive current collector conductivity [S.m-1],35500000,LIONSIMBA,aluminium,,
+,,,,,
+# Density,,,,,
+Negative current collector density [kg.m-3],8954,,,,
+Positive current collector density [kg.m-3],2707,,,,
+,,,,,
+# Specific heat capacity,,,,,
+Negative current collector specific heat capacity [J.kg-1.K-1],385,,,,
+Positive current collector specific heat capacity [J.kg-1.K-1],897,,,,
+,,,,,
+# Thermal conductivity,,,,,
+Negative current collector thermal conductivity [W.m-1.K-1],401,,,,
+Positive current collector thermal conductivity [W.m-1.K-1],237,,,,
+,,,,,
+# Electrical,,,,,
+Nominal cell capacity [A.h],12.4,Yang2017,,,
+Typical current [A],12.4,,1C current,,
+Current function [A],12.4,default current function,,,

pybamm/input/parameters/lithium-ion/electrolytes/lipf6_Ecker2015/README.md

@@ -4,7 +4,7 @@ Parameters for a LiPF6 electrolyte, from the papers
 
 > Ecker, Madeleine, et al. "Parameterization of a physico-chemical model of a lithium-ion battery i. determination of parameters." Journal of the Electrochemical Society 162.9 (2015): A1836-A1848.
 
->Ecker, Madeleine, et al. "Parameterization of a physico-chemical model of a lithium-ion battery II. Model validation." Journal of The Electrochemical Society 162.9 (2015): A1849-A1857.
+> Ecker, Madeleine, et al. "Parameterization of a physico-chemical model of a lithium-ion battery II. Model validation." Journal of The Electrochemical Society 162.9 (2015): A1849-A1857.
 
 The fits to data for the electrode and electrolyte properties are those provided
 by Dr. Simon O’Kane in the paper:

pybamm/input/parameters/lithium-ion/lithium_platings/okane2020_Li_plating/README.md

@@ -0,0 +1,7 @@
+# Lithium plating parameters
+
+Some example parameters for lithium plating from the paper:
+
+> O’Kane, S. E. J., Campbell, I. D., Marzook, M. W. J., Offer, G. J., & Marinescu, M. (2020) Physical origin of the differential voltage minimum associated with lithium plating in Li-ion batteries. Journal of The Electrochemical Society 167(3), 090540.
+
+Note: this parameter set does not claim to be representative of the true parameter values. Instead these are parameter values that were used to fit plating models to observed experimental data in the referenced papers.

pybamm/input/parameters/lithium-ion/lithium_platings/okane2020_Li_plating/parameters.csv

@@ -0,0 +1,8 @@
+Name [units],Value,Reference,Notes
+,,,
+,,,
+# Lithium plating parameters,,,
+Lithium metal partial molar volume [m3.mol-1],1.30E-05,Yang2017,
+Exchange-current density for plating [A.m-2],[function]plating_exchange_current_density_OKane2020,,
+Exchange-current density for stripping [A.m-2],[function]stripping_exchange_current_density_OKane2020,,
+Initial plated lithium concentration [mol.m-3],0.00E+00,,

pybamm/input/parameters/lithium-ion/lithium_platings/okane2020_Li_plating/plating_exchange_current_density_OKane2020.py

@@ -0,0 +1,29 @@
+from pybamm import constants
+
+
+def plating_exchange_current_density_OKane2020(c_e, c_Li, T):
+    """
+    Exchange-current density for Li plating reaction [A.m-2].
+    References
+    ----------
+    .. [1] O’Kane, Simon EJ, Ian D. Campbell, Mohamed WJ Marzook, Gregory J. Offer, and
+    Monica Marinescu. "Physical origin of the differential voltage minimum associated
+    with lithium plating in Li-ion batteries." Journal of The Electrochemical Society
+    167, no. 9 (2020): 090540.
+    Parameters
+    ----------
+    c_e : :class:`pybamm.Symbol`
+        Electrolyte concentration [mol.m-3]
+    c_Li : :class:`pybamm.Symbol`
+        Plated lithium concentration [mol.m-3]
+    T : :class:`pybamm.Symbol`
+        Temperature [K]
+    Returns
+    -------
+    :class:`pybamm.Symbol`
+        Exchange-current density [A.m-2]
+    """
+
+    k_plating = 1e-10
+
+    return constants.F * k_plating * c_e

pybamm/input/parameters/lithium-ion/lithium_platings/okane2020_Li_plating/stripping_exchange_current_density_OKane2020.py

@@ -0,0 +1,35 @@
+from pybamm import constants
+
+
+def stripping_exchange_current_density_OKane2020(c_e, c_Li, T):
+    """
+    Exchange-current density for Li stripping reaction [A.m-2].
+
+    References
+    ----------
+
+    .. [1] O’Kane, Simon EJ, Ian D. Campbell, Mohamed WJ Marzook, Gregory J. Offer, and
+    Monica Marinescu. "Physical origin of the differential voltage minimum associated
+    with lithium plating in Li-ion batteries." Journal of The Electrochemical Society
+    167, no. 9 (2020): 090540.
+
+    Parameters
+    ----------
+
+    c_e : :class:`pybamm.Symbol`
+        Electrolyte concentration [mol.m-3]
+    c_Li : :class:`pybamm.Symbol`
+        Plated lithium concentration [mol.m-3]
+    T : :class:`pybamm.Symbol`
+        Temperature [K]
+
+    Returns
+    -------
+
+    :class:`pybamm.Symbol`
+        Exchange-current density [A.m-2]
+    """
+
+    k_plating = 1e-10
+
+    return constants.F * k_plating * c_Li

pybamm/input/parameters/lithium-ion/lithium_platings/yang2017_Li_plating/README.md

@@ -0,0 +1,11 @@
+# SEI parameters
+
+Some example parameters for SEI growth from the papers:
+
+> Ramadass, P., Haran, B., Gomadam, P. M., White, R., & Popov, B. N. (2004). Development of first principles capacity fade model for Li-ion cells. Journal of the Electrochemical Society, 151(2), A196-A203.
+> Ploehn, H. J., Ramadass, P., & White, R. E. (2004). Solvent diffusion model for aging of lithium-ion battery cells. Journal of The Electrochemical Society, 151(3), A456-A462.
+> Single, F., Latz, A., & Horstmann, B. (2018). Identifying the mechanism of continued growth of the solid–electrolyte interphase. ChemSusChem, 11(12), 1950-1955.
+> Safari, M., Morcrette, M., Teyssot, A., & Delacour, C. (2009). Multimodal Physics-Based Aging Model for Life Prediction of Li-Ion Batteries. Journal of The Electrochemical Society, 156(3), 
+> Yang, X., Leng, Y., Zhang, G., Ge, S., Wang, C. (2017). Modeling of lithium plating induced aging of lithium-ion batteries: Transition from linear to nonlinear aging. Journal of Power Sources, 360, 28-40.
+
+Note: this parameter set does not claim to be representative of the true parameter values. Instead these are parameter values that were used to fit SEI models to observed experimental data in the referenced papers.

pybamm/input/parameters/lithium-ion/lithium_platings/yang2017_Li_plating/parameters.csv

@@ -0,0 +1,7 @@
+Name [units],Value,Reference,Notes
+,,,
+,,,
+# Lithium plating parameters,,,
+Lithium metal partial molar volume [m3.mol-1],1.30E-05,Yang2017,
+Exchange-current density for plating [A.m-2],0.001,,
+Initial plated lithium concentration [mol.m-3],0.00E+00,,

pybamm/input/parameters/lithium-ion/negative_electrodes/graphite_Chen2020_plating/parameters.csv

@@ -10,7 +10,7 @@ Negative electrode OCP [V],[data]graphite_LGM50_ocp_Chen2020,Chen 2020,
 # Microstructure,,,
 Negative electrode porosity,0.25,Chen 2020,
 Negative electrode active material volume fraction,0.75,Chen 2020,
-Negative particle radius [m],5.86E-6,Chen 2020,
+Negative particle radius [m],5.86E-06,Chen 2020,
 Negative electrode Bruggeman coefficient (electrolyte),1.5,Chen 2020,theoretical
 Negative electrode Bruggeman coefficient (electrode),1.5,default,
 ,,,
@@ -30,7 +30,6 @@ Negative electrode specific heat capacity [J.kg-1.K-1],700,default,
 Negative electrode thermal conductivity [W.m-1.K-1],1.7,default,
 Negative electrode OCP entropic change [V.K-1],0,,
 ,,,
-# Lithium plating parameters,,,
-Lithium metal partial molar volume [m3.mol-1],1.3E-5,,
-Lithium plating kinetic rate constant [m.s-1],1E-10,,
-Initial plated lithium concentration [mol.m-3],0,,
+,,,
+,,,
+,,,

pybamm/input/parameters/lithium-ion/negative_electrodes/graphite_Yang2017/README.md

@@ -0,0 +1,12 @@
+# Graphite negative electrode parameters
+
+Parameters for a graphite negative electrode, from the papers:
+
+> Ecker, Madeleine, et al. "Parameterization of a physico-chemical model of a lithium-ion battery I. determination of parameters." Journal of the Electrochemical Society 162.9 (2015): A1836-A1848.
+
+> Ecker, Madeleine, et al. "Parameterization of a physico-chemical model of a lithium-ion battery II. Model validation." Journal of The Electrochemical Society 162.9 (2015): A1849-A1857.
+
+The fits to data for the electrode and electrolyte properties are those provided
+by Dr. Simon O’Kane in the paper:
+
+> Richardson, Giles, et. al. "Generalised single particle models for high-rate operation of graded lithium-ion electrodes: Systematic derivation and validation." Electrochemica Acta 339 (2020): 135862

pybamm/input/parameters/lithium-ion/negative_electrodes/graphite_Yang2017/graphite_diffusivity_Ecker2015.py

@@ -0,0 +1,37 @@
+from pybamm import exp, constants
+
+
+def graphite_diffusivity_Ecker2015(sto, T):
+    """
+    Graphite diffusivity as a function of stochiometry [1, 2, 3].
+
+    References
+    ----------
+     .. [1] Ecker, Madeleine, et al. "Parameterization of a physico-chemical model of
+    a lithium-ion battery i. determination of parameters." Journal of the
+    Electrochemical Society 162.9 (2015): A1836-A1848.
+    .. [2] Ecker, Madeleine, et al. "Parameterization of a physico-chemical model of
+    a lithium-ion battery ii. model validation." Journal of The Electrochemical
+    Society 162.9 (2015): A1849-A1857.
+    .. [3] Richardson, Giles, et. al. "Generalised single particle models for
+    high-rate operation of graded lithium-ion electrodes: Systematic derivation
+    and validation." Electrochemica Acta 339 (2020): 135862
+
+    Parameters
+    ----------
+    sto: :class:`pybamm.Symbol`
+        Electrode stochiometry
+    T: :class:`pybamm.Symbol`
+        Dimensional temperature
+
+    Returns
+    -------
+    :class:`pybamm.Symbol`
+        Solid diffusivity
+    """
+
+    D_ref = 8.4e-13 * exp(-11.3 * sto) + 8.2e-15
+    E_D_s = 3.03e4
+    arrhenius = exp(-E_D_s / (constants.R * T)) * exp(E_D_s / (constants.R * 296))
+
+    return D_ref * arrhenius

pybamm/input/parameters/lithium-ion/negative_electrodes/graphite_Yang2017/graphite_electrolyte_exchange_current_density_Ecker2015.py

@@ -0,0 +1,48 @@
+from pybamm import exp, constants, Parameter
+
+
+def graphite_electrolyte_exchange_current_density_Ecker2015(c_e, c_s_surf, T):
+    """
+    Exchange-current density for Butler-Volmer reactions between graphite and LiPF6 in
+    EC:DMC.
+
+    References
+    ----------
+    .. [1] Ecker, Madeleine, et al. "Parameterization of a physico-chemical model of
+    a lithium-ion battery i. determination of parameters." Journal of the
+    Electrochemical Society 162.9 (2015): A1836-A1848.
+    .. [2] Ecker, Madeleine, et al. "Parameterization of a physico-chemical model of
+    a lithium-ion battery ii. model validation." Journal of The Electrochemical
+    Society 162.9 (2015): A1849-A1857.
+    .. [3] Richardson, Giles, et. al. "Generalised single particle models for
+    high-rate operation of graded lithium-ion electrodes: Systematic derivation
+    and validation." Electrochemica Acta 339 (2020): 135862
+
+    Parameters
+    ----------
+    c_e : :class:`pybamm.Symbol`
+        Electrolyte concentration [mol.m-3]
+    c_s_surf : :class:`pybamm.Symbol`
+        Particle concentration [mol.m-3]
+    T : :class:`pybamm.Symbol`
+        Temperature [K]
+
+    Returns
+    -------
+    :class:`pybamm.Symbol`
+        Exchange-current density [A.m-2]
+    """
+
+    k_ref = 1.995 * 1e-10
+
+    # multiply by Faraday's constant to get correct units
+    m_ref = constants.F * k_ref  # (A/m2)(mol/m3)**1.5 - includes ref concentrations
+    E_r = 53400
+
+    arrhenius = exp(-E_r / (constants.R * T)) * exp(E_r / (constants.R * 296.15))
+
+    c_n_max = Parameter("Maximum concentration in negative electrode [mol.m-3]")
+
+    return (
+        m_ref * arrhenius * c_e ** 0.5 * c_s_surf ** 0.5 * (c_n_max - c_s_surf) ** 0.5
+    )

pybamm/input/parameters/lithium-ion/negative_electrodes/graphite_Yang2017/graphite_ocp_Ecker2015.csv

@@ -0,0 +1,41 @@
+0.0015151515151514694, 1.4325153374233128
+0.0060606060606061, 0.8619631901840491
+0.010606060606060619, 0.7914110429447854
+0.016666666666666607, 0.6595092024539877
+0.021212121212121238, 0.5797546012269938
+0.022727272727272707, 0.5245398773006136
+0.030303030303030276, 0.4754601226993864
+0.039393939393939315, 0.4141104294478526
+0.045454545454545414, 0.3680981595092023
+0.05303030303030298, 0.3312883435582821
+0.06666666666666665, 0.28220858895705514
+0.07878787878787874, 0.24846625766871155
+0.08939393939393936, 0.2239263803680982
+0.10151515151515145, 0.22085889570552153
+0.12727272727272732, 0.21165644171779152
+0.14242424242424245, 0.2024539877300613
+0.15909090909090917, 0.19938650306748462
+0.17727272727272725, 0.19325153374233128
+0.19393939393939397, 0.18404907975460127
+0.21363636363636362, 0.1809815950920246
+0.23333333333333328, 0.17177914110429437
+0.25757575757575757, 0.16564417177914104
+0.2787878787878788, 0.16257668711656437
+0.303030303030303, 0.15337423312883436
+0.32878787878787885, 0.14110429447852746
+0.35151515151515156, 0.13496932515337412
+0.3712121212121211, 0.13190184049079745
+0.39242424242424234, 0.128834355828221
+0.5681818181818183, 0.1257668711656441
+0.5878787878787879, 0.12269938650306744
+0.6060606060606062, 0.1165644171779141
+0.6272727272727272, 0.10122699386503076
+0.6545454545454545, 0.0950920245398772
+0.6742424242424243, 0.0950920245398772
+0.6939393939393939, 0.08895705521472386
+0.7181818181818183, 0.08895705521472386
+0.7393939393939393, 0.08588957055214719
+0.8909090909090911, 0.08282208588957074
+0.956060606060606, 0.08272208588957074
+0.9772727272727273, 0.07975460122699385
+1, 0.07055214723926384