Merge pull request #854 from ferranbrosa/issue-573-implement-LGM50

Issue 573 implement LGM50

.gitignore

@@ -11,7 +11,7 @@
 !requirements*
 !LICENSE.txt
 !CMakeLists.txt
-!input/**/*.csv
+!pybamm/input/**/*.csv
 
 # running files
 *.pyc

CHANGELOG.md

@@ -2,6 +2,7 @@
 
 ## Features
 
+-   Added LG M50 parameter set ([#854](https://github.com/pybamm-team/PyBaMM/pull/854))
 -   Changed rootfinding algorithm to CasADi, scipy.optimize.root still accessible as an option ([#844](https://github.com/pybamm-team/PyBaMM/pull/844))
 -   Added capacitance effects to lithium-ion models ([#842](https://github.com/pybamm-team/PyBaMM/pull/842))
 -   Added NCA parameter set ([#824](https://github.com/pybamm-team/PyBaMM/pull/824))

pybamm/input/parameters/lithium-ion/anodes/graphite_Chen2020/README.md

@@ -0,0 +1,7 @@
+# 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." Submitted for publication (2020).
+
+and references therein. For more information or how to cite please contact Ferran.Brosa-Planella (at) warwick.ac.uk.

pybamm/input/parameters/lithium-ion/anodes/graphite_Chen2020/graphite_LGM50_diffusivity_Chen2020.py

@@ -0,0 +1,35 @@
+from pybamm import exp
+
+
+def graphite_LGM50_diffusivity_Chen2020(sto, T, T_inf, E_D_s, R_g):
+    """
+      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." Submitted for
+      publication (2020).
+      Parameters
+      ----------
+      sto: :class: `numpy.Array`
+         Electrode stochiometry
+      T: :class: `numpy.Array`
+         Dimensional temperature
+      T_inf: double
+         Reference temperature
+      E_D_s: double
+         Solid diffusion activation energy
+      R_g: double
+         The ideal gas constant
+      Returns
+      -------
+      : double
+         Solid diffusivity
+   """
+
+    D_ref = 3.3e-14
+    arrhenius = exp(E_D_s / R_g * (1 / T_inf - 1 / T))
+
+    return D_ref * arrhenius

pybamm/input/parameters/lithium-ion/anodes/graphite_Chen2020/graphite_LGM50_electrolyte_reaction_rate_Chen2020.py

@@ -0,0 +1,32 @@
+from pybamm import exp
+
+
+def graphite_LGM50_electrolyte_reaction_rate_Chen2020(T, T_inf, E_r, R_g):
+    """
+    Reaction rate 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." Submitted for
+    publication (2020).
+    Parameters
+    ----------
+    T: :class: `numpy.Array`
+        Dimensional temperature
+    T_inf: double
+        Reference temperature
+    E_r: double
+        Reaction activation energy
+    R_g: double
+        The ideal gas constant
+    Returns
+    -------
+    :`numpy.Array`
+        Reaction rate
+    """
+
+    m_ref = 6.48E-7
+    arrhenius = exp(E_r / R_g * (1 / T_inf - 1 / T))
+
+    return m_ref * arrhenius

pybamm/input/parameters/lithium-ion/anodes/graphite_Chen2020/graphite_LGM50_ocp_Chen2020.csv

@@ -0,0 +1,238 @@
+# OCP data for LG M50 graphite anode
+# sto,ocp
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pybamm/input/parameters/lithium-ion/anodes/graphite_Chen2020/parameters.csv

@@ -0,0 +1,38 @@
+Name [units],Value,Reference,Notes
+# Empty rows and rows starting with ‘#’ will be ignored,,,
+,,,
+# Electrode properties,,,
+Negative electrode conductivity [S.m-1],215,Chen 2020,graphite
+Maximum concentration in negative electrode [mol.m-3],33429,Chen 2020,tuned for 1C
+Negative electrode diffusivity [m2.s-1],3.3E-14,Chen 2020,tuned for 1C
+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 distribution in x,1,default,
+Negative electrode surface area density [m-1],383959,Chen 2020,
+Negative electrode Bruggeman coefficient (electrolyte),1.5,Chen 2020,theoretical
+Negative electrode Bruggeman coefficient (electrode),1.5,default,
+,,,
+# Interfacial reactions,,,
+Negative electrode cation signed stoichiometry,-1,,
+Negative electrode electrons in reaction,1,,
+Reference OCP vs SHE in the negative electrode [V],,,
+Negative electrode charge transfer coefficient,0.5,Chen 2020,
+Negative electrode double-layer capacity [F.m-2],0.2,,
+,,,
+# Density,,,
+Negative electrode density [kg.m-3],1657,default,
+,,,
+# Thermal parameters,,,
+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,,
+,,,
+# Activation energies,,,
+Reference temperature [K],298.15,25C,
+Negative electrode reaction rate,[function]graphite_LGM50_electrolyte_reaction_rate_Chen2020,,
+Negative reaction rate activation energy [J.mol-1],35000,Chen 2020,
+Negative solid diffusion activation energy [J.mol-1],42770,default,

pybamm/input/parameters/lithium-ion/cathodes/lico2_Marquis2019/parameters.csv

@@ -5,7 +5,7 @@ Name [units],Value,Reference,Notes
 Positive electrode conductivity [S.m-1],10,Scott Moura FastDFN,lithium cobalt oxide
 Maximum concentration in positive electrode [mol.m-3],51217.9257309275,Scott Moura FastDFN,
 Positive electrode diffusivity [m2.s-1],[function]lico2_diffusivity_Dualfoil1998,,
-Positive electrode OCP [V],[function]lico2_ocp_Dualfoil1998,
+Positive electrode OCP [V],[function]lico2_ocp_Dualfoil1998,,
 ,,,
 # Microstructure,,,
 Positive electrode porosity,0.3,Scott Moura FastDFN,electrolyte volume fraction
@@ -35,4 +35,4 @@ Positive electrode OCP entropic change [V.K-1],[function]lico2_entropic_change_M
 Reference temperature [K],298.15,25C,
 Positive electrode reaction rate,[function]lico2_electrolyte_reaction_rate_Dualfoil1998,,
 Positive reaction rate activation energy [J.mol-1],39570,,
-Positive solid diffusion activation energy [J.mol-1],18550,,
+Positive solid diffusion activation energy [J.mol-1],18550,,

pybamm/input/parameters/lithium-ion/cathodes/nmc_Chen2020/README.md

@@ -0,0 +1,7 @@
+# NMC 811 cathode parameters
+
+Parameters for an LG M50 NMC cathode, 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." Submitted for publication (2020).
+
+and references therein. For more information or how to cite please contact Ferran.Brosa-Planella (at) warwick.ac.uk.