Merge pull request #1287 from DrSOKane/LithiumPlating

Lithium plating

examples/notebooks/compare-ecker-data.ipynb

@@ -266,4 +266,4 @@
  },
  "nbformat": 4,
  "nbformat_minor": 2
-}
+}

examples/notebooks/submodel_cracking_DFN_or_SPM.ipynb → examples/notebooks/submodel_cracking_DFN_or_SPM,.ipynb

@@ -274,4 +274,4 @@
  },
  "nbformat": 4,
  "nbformat_minor": 2
-}
+}

examples/scripts/custom_model.py

@@ -59,6 +59,12 @@
 ] = pybamm.electrolyte_conductivity.LeadingOrder(model.param)
 model.submodels["negative sei"] = pybamm.sei.NoSEI(model.param, "Negative")
 model.submodels["positive sei"] = pybamm.sei.NoSEI(model.param, "Positive")
+model.submodels[
+    "negative lithium plating"
+] = pybamm.lithium_plating.NoPlating(model.param, "Negative")
+model.submodels[
+    "positive lithium plating"
+] = pybamm.lithium_plating.NoPlating(model.param, "Positive")
 
 # build model
 model.build_model()

pybamm/CITATIONS.txt

@@ -310,6 +310,32 @@ primaryClass = {physics.app-ph},
   doi = {10.1149/2.0281914jes},
 }
 
+@article{OKane2020,
+	doi = {10.1149/1945-7111/ab90ac},
+	url = {https://doi.org/10.1149/1945-7111/ab90ac},
+	year = {2020},
+	month = {may},
+	publisher = {The Electrochemical Society},
+	volume = {167},
+	number = {9},
+	pages = {090540},
+	author = {Simon E. J. O'Kane and Ian D. Campbell and Mohamed W. J. Marzook and Gregory J. Offer and Monica Marinescu},
+	title = {Physical Origin of the Differential Voltage Minimum Associated with Lithium Plating in Li-Ion Batteries},
+	journal = {Journal of The Electrochemical Society}
+}
+
+@article{Ren2018,
+author={Ren, Dongsheng and Smith, Kandler and Guo, Dongxu and Han, Xuebing and Feng, Xuning and Lu, Languang and Ouyang, Minggao},
+title={Investigation of Lithium Plating-Stripping Process in Li-Ion Batteries at Low Temperature Using an Electrochemical Model},
+journal={Journal of the Electrochemistry Society},
+year={2018},
+volume={165},
+pages={A2167-A2178},
+publisher={The Electrochemical Society},
+doi={10.1149/2.0661810jes}
+}
+
+
 @article{Wang2002,
   title = {Spectral (Finite) Volume Method for Conservation Laws on Unstructured Grids},
   author = {Wang, Z. J.},

pybamm/__init__.py

@@ -154,6 +154,7 @@ def version(formatted=False):
     particle_cracking,
 )
 from .models.submodels.interface import sei
+from .models.submodels.interface import lithium_plating
 
 #
 # Geometry

pybamm/input/parameters/lithium-ion/negative_electrodes/graphite_Chen2020_plating/README.md

@@ -0,0 +1,9 @@
+# LG M50 Graphite anode parameters
+
+Parameters for a LG M50 graphite anode, from the paper
+
+> Chang-Hui Chen, Ferran Brosa Planella, Kieran O’Regan, Dominika Gastol, W. Dhammika Widanage, and Emma Kendrick. ["Development of Experimental Techniques for Parameterization of Multi-scale Lithium-ion Battery Models."](https://iopscience.iop.org/article/10.1149/1945-7111/ab9050) Journal of the Electrochemical Society 167 (2020): 080534
+
+and references therein. 
+
+Speculative parameters for lithium plating have also been added.

pybamm/input/parameters/lithium-ion/negative_electrodes/graphite_Chen2020_plating/graphite_LGM50_diffusivity_Chen2020.py

@@ -0,0 +1,34 @@
+from pybamm import exp, constants
+
+
+def graphite_LGM50_diffusivity_Chen2020(sto, T):
+    """
+      LG M50 Graphite diffusivity as a function of stochiometry, in this case the
+      diffusivity is taken to be a constant. The value is taken from [1].
+
+      References
+      ----------
+      .. [1] Chang-Hui Chen, Ferran Brosa Planella, Kieran O’Regan, Dominika Gastol, W.
+      Dhammika Widanage, and Emma Kendrick. "Development of Experimental Techniques for
+      Parameterization of Multi-scale Lithium-ion Battery Models." Journal of the
+      Electrochemical Society 167 (2020): 080534.
+
+      Parameters
+      ----------
+      sto: :class:`pybamm.Symbol`
+         Electrode stochiometry
+      T: :class:`pybamm.Symbol`
+         Dimensional temperature
+
+      Returns
+      -------
+      :class:`pybamm.Symbol`
+         Solid diffusivity
+   """
+
+    D_ref = 3.3e-14
+    E_D_s = 3.03e4
+    # E_D_s not given by Chen et al (2020), so taken from Ecker et al. (2015) instead
+    arrhenius = exp(E_D_s / constants.R * (1 / 298.15 - 1 / T))
+
+    return D_ref * arrhenius

pybamm/input/parameters/lithium-ion/negative_electrodes/graphite_Chen2020_plating/graphite_LGM50_electrolyte_exchange_current_density_Chen2020.py

@@ -0,0 +1,39 @@
+from pybamm import exp, constants, Parameter
+
+
+def graphite_LGM50_electrolyte_exchange_current_density_Chen2020(c_e, c_s_surf, T):
+    """
+    Exchange-current density for Butler-Volmer reactions between graphite and LiPF6 in
+    EC:DMC.
+
+    References
+    ----------
+    .. [1] Chang-Hui Chen, Ferran Brosa Planella, Kieran O’Regan, Dominika Gastol, W.
+    Dhammika Widanage, and Emma Kendrick. "Development of Experimental Techniques for
+    Parameterization of Multi-scale Lithium-ion Battery Models." Journal of the
+    Electrochemical Society 167 (2020): 080534.
+
+    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]
+    """
+
+    m_ref = 6.48e-7  # (A/m2)(mol/m3)**1.5 - includes ref concentrations
+    E_r = 35000
+    arrhenius = exp(E_r / constants.R * (1 / 298.15 - 1 / T))
+
+    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_Chen2020_plating/graphite_LGM50_ocp_Chen2020.csv

@@ -0,0 +1,243 @@
+# OCP data for LG M50 graphite anode
+# sto,ocp
+# extra point to avoid extrapolation
+0,1.81772748379334
+# experimentally measured data
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+# extra point to avoid extrapolation
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