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Update NCA_Kim2011.py
Fixing #2744. to make sure we hit the voltage cut-off, instead of the particle stoichiometry going above 1. Using the function in Kim2011 article to take the place of pybamm\input\parameters\lithium_ion\data\nca_ocp_Kim2011_data.csv for parameter 'Positive electrode OCP[V]' in Kim2011 parameter set. The function 'nca_ocp_Kim2011(sto)' in pybamm\input\parameters\lithium_ion\NCA_Kim2011.py is edited.
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pybamm/input/parameters/lithium_ion/NCA_Kim2011.py

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@@ -260,16 +260,35 @@ def electrolyte_conductivity_Kim2011(c_e, T):
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return sigma_e
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# Load data in the appropriate format
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path, _ = os.path.split(os.path.abspath(__file__))
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nca_ocp_Kim2011_data = pybamm.parameters.process_1D_data(
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"nca_ocp_Kim2011_data.csv", path=path
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)
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def nca_ocp_Kim2011(sto):
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name, (x, y) = nca_ocp_Kim2011_data
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return pybamm.Interpolant(x, y, sto, name=name, interpolator="linear")
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"""
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References
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----------
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Graphite Open Circuit Potential (OCP) as a function of the stochiometry [1].
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----------
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.. [1] Kim, G. H., Smith, K., Lee, K. J., Santhanagopalan, S., & Pesaran, A.
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(2011). Multi-domain modeling of lithium-ion batteries encompassing
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multi-physics in varied length scales. Journal of The Electrochemical
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Society, 158(8), A955-A969.
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"""
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U_posi = (
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1.638 * sto ** 10
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- 2.222 * sto ** 9
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+ 15.056 * sto ** 8
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- 23.488 * sto ** 7
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+ 81.246 * sto ** 6
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- 344.566 * sto ** 5
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+ 621.3475 * sto ** 4
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- 554.774 * sto ** 3
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+ 264.427 * sto ** 2
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- 66.3691 * sto
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+ 11.8058
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- 0.61386 * pybamm.exp(5.8201*sto**136.4)
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)
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return U_posi
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# Call dict via a function to avoid errors when editing in place

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