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added umbl2022 gm parameters
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‎pybamm/input/parameters/lithium_ion/cells/UMBL_Siegel2022/parameters.csv

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Name [units],Value,Reference,Notes
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# Empty rows and rows starting with ‘#’ will be ignored,,,
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,,,
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# Macroscale geometry,,,
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Negative current collector thickness [m],1E-05,Siegel fukuda cu,
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Negative electrode thickness [m],55.6E-06,Siegel2022,
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Separator thickness [m],12E-06,MPM Etek 12EPH,
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Positive electrode thickness [m],55.65E-06,Siegel2022,
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Positive current collector thickness [m],1.5E-05,Scott Moura FastDFN,no info from Peyman MPM
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Electrode height [m],106e-3,UMBL Pouch,Not needed for 1D
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Electrode width [m],1.6320,UMBL Pouch,Not needed for 1D 24*68e-3 12 layer pouch
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Cell cooling surface area [m2],0.41,,pouch
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Cell volume [m3],3.92E-5,,pouch
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,,,
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# Current collector properties ,,,
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Negative current collector conductivity [S.m-1],59600000,LIONSIMBA,carbon
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Positive current collector conductivity [S.m-1],35500000,LIONSIMBA,aluminium
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,,,
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# Density,,,
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Negative current collector density [kg.m-3],8954,,
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Positive current collector density [kg.m-3],2707,,
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,,,
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# Specific heat capacity,,,
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Negative current collector specific heat capacity [J.kg-1.K-1],385,,
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Positive current collector specific heat capacity [J.kg-1.K-1],897,,
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,,,
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# Thermal conductivity,,,
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Negative current collector thermal conductivity [W.m-1.K-1],401,,
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Positive current collector thermal conductivity [W.m-1.K-1],237,,
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,,,
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# Electrical,,,
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Nominal cell capacity [A.h],3.5,Peyman MPM,
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Typical current [A],3.5,,1C current
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Current function [A],3,default current function,

‎pybamm/input/parameters/lithium_ion/negative_electrodes/graphite_UMBL_Siegel2022/__init__.py

Whitespace-only changes.

‎pybamm/input/parameters/lithium_ion/negative_electrodes/graphite_UMBL_Siegel2022/graphite_diffusivity_PeymanMPM.py

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from pybamm import exp, constants
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def graphite_diffusivity_PeymanMPM(sto, T):
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"""
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Graphite diffusivity as a function of stochiometry, in this case the
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diffusivity is taken to be a constant. The value is taken from Peyman MPM.
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References
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----------
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.. [1] http://www.cchem.berkeley.edu/jsngrp/fortran.html
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Parameters
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----------
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sto: :class:`pybamm.Symbol`
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Electrode stochiometry
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T: :class:`pybamm.Symbol`
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Dimensional temperature
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Returns
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-------
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:class:`pybamm.Symbol`
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Solid diffusivity
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"""
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D_ref = 5.0 * 10 ** (-15)
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E_D_s = 42770
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arrhenius = exp(E_D_s / constants.R * (1 / 298.15 - 1 / T))
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return D_ref * arrhenius

‎pybamm/input/parameters/lithium_ion/negative_electrodes/graphite_UMBL_Siegel2022/graphite_electrolyte_exchange_current_density_PeymanMPM.py

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from pybamm import exp, constants
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def graphite_electrolyte_exchange_current_density_PeymanMPM(c_e, c_s_surf, c_s_max, T):
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"""
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Exchange-current density for Butler-Volmer reactions between graphite and LiPF6 in
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EC:DMC.
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Check the unit of Reaction rate constant k0 is from Peyman MPM.
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References
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----------
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.. [2] http://www.cchem.berkeley.edu/jsngrp/fortran.html
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Parameters
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----------
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c_e : :class:`pybamm.Symbol`
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Electrolyte concentration [mol.m-3]
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c_s_surf : :class:`pybamm.Symbol`
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Particle concentration [mol.m-3]
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c_s_max : :class:`pybamm.Symbol`
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Maximum particle concentration [mol.m-3]
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T : :class:`pybamm.Symbol`
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Temperature [K]
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Returns
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-------
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:class:`pybamm.Symbol`
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Exchange-current density [A.m-2]
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"""
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m_ref = 1.061 * 10 ** (-6) # unit has been converted
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# units are (A/m2)(mol/m3)**1.5 - includes ref concentrations
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E_r = 37480
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arrhenius = exp(E_r / constants.R * (1 / 298.15 - 1 / T))
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return (
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m_ref * arrhenius * c_e**0.5 * c_s_surf**0.5 * (c_s_max - c_s_surf) ** 0.5
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)

‎pybamm/input/parameters/lithium_ion/negative_electrodes/graphite_UMBL_Siegel2022/graphite_entropic_change_PeymanMPM.py

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def graphite_entropic_change_PeymanMPM(sto, c_s_max):
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"""
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Graphite entropic change in open circuit potential (OCP) at a temperature of
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298.15K as a function of the stochiometry taken from [1]
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References
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----------
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.. [1] K.E. Thomas, J. Newman, "Heats of mixing and entropy in porous insertion
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electrode", J. of Power Sources 119 (2003) 844-849
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Parameters
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----------
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sto : :class:`pybamm.Symbol`
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Stochiometry of material (li-fraction)
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"""
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du_dT = 10 ** (-3) * (
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0.28
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- 1.56 * sto
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- 8.92 * sto ** (2)
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+ 57.21 * sto ** (3)
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- 110.7 * sto ** (4)
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+ 90.71 * sto ** (5)
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- 27.14 * sto ** (6)
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)
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return du_dT

‎pybamm/input/parameters/lithium_ion/negative_electrodes/graphite_UMBL_Siegel2022/graphite_ocp_PeymanMPM.py

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import pybamm
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def graphite_ocp_PeymanMPM(sto):
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"""
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Graphite Open Circuit Potential (OCP) as a function of the
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stochiometry. The fit is taken from Peyman MPM [1].
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References
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----------
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.. [1] Peyman Mohtat et al, MPM (to be submitted)
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"""
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u_eq = (
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0.063
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+ 0.8 * pybamm.exp(-75 * (sto + 0.001))
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- 0.0120 * pybamm.tanh((sto - 0.127) / 0.016)
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- 0.0118 * pybamm.tanh((sto - 0.155) / 0.016)
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- 0.0035 * pybamm.tanh((sto - 0.220) / 0.020)
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- 0.0095 * pybamm.tanh((sto - 0.190) / 0.013)
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- 0.0145 * pybamm.tanh((sto - 0.490) / 0.020)
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- 0.0800 * pybamm.tanh((sto - 1.030) / 0.055)
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)
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return u_eq
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# if __name__ == "__main__": # pragma: no cover
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# x = pybamm.linspace(1e-10, 1 - 1e-10, 1000)
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# # pybamm.plot(x, graphite_ocp_PeymanMPM(x))
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# pybamm.plot(x, -1e-8 * pybamm.log(x / (1 - x)))

‎pybamm/input/parameters/lithium_ion/negative_electrodes/graphite_UMBL_Siegel2022/parameters.csv

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Name [units],Value,Reference,Notes
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# Empty rows and rows starting with ‘#’ will be ignored,,,
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,,,
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# Electrode properties,,,
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Negative electrode conductivity [S.m-1],100,Scott Moura FastDFN,no info from Peyman MPM
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Maximum concentration in negative electrode [mol.m-3],28746,Peyman MPM,
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Negative electrode diffusion coefficient [m2.s-1],5.0E-15,Peyman MPM,
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Negative electrode diffusivity [m2.s-1],[function]graphite_diffusivity_PeymanMPM,,
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Negative electrode OCP [V],[function]graphite_ocp_PeymanMPM,Peyman MPM,
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,,,
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# Microstructure,,,
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Negative electrode porosity,0.2,Siegel2022,
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Negative electrode active material volume fraction,0.7545,Siegel2022,rest is binder
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Negative particle radius [m],27E-06,Siegel2022,
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Negative electrode Bruggeman coefficient (electrode),1.5,Peyman MPM,
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Negative electrode Bruggeman coefficient (electrolyte),1.5,Peyman MPM,
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Negative electrode transport efficiency, 0.16,
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,,,
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# Interfacial reactions,,,
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Negative electrode cation signed stoichiometry,-1,,no info from Peyman MPM
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Negative electrode electrons in reaction,1,,no info from Peyman MPM
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Negative electrode reference exchange-current density [A.m-2(m3.mol)1.5],1.061E-6,Peyman MPM,convert unit
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Negative electrode charge transfer coefficient,0.5,Peyman MPM,
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Negative electrode double-layer capacity [F.m-2],0.2,,no info from Peyman MPM
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Negative electrode exchange-current density [A.m-2],[function]graphite_electrolyte_exchange_current_density_PeymanMPM,,
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,,,
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# Density,,,
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Negative electrode density [kg.m-3],3100,Peyman MPM, cell lumped value
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,,,
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# Thermal parameters,,,
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Negative electrode specific heat capacity [J.kg-1.K-1],1100,Peyman MPM,cell lumped value
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Negative electrode thermal conductivity [W.m-1.K-1],1.7,,no info from Peyman MPM
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Negative electrode OCP entropic change [V.K-1],[function]graphite_entropic_change_PeymanMPM,,

‎pybamm/input/parameters/lithium_ion/positive_electrodes/NMC_UMBL_Siegel2022/NMC_diffusivity_PeymanMPM.py

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from pybamm import exp, constants
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def NMC_diffusivity_PeymanMPM(sto, T):
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"""
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NMC diffusivity as a function of stochiometry, in this case the
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diffusivity is taken to be a constant. The value is taken from Peyman MPM.
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References
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----------
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.. [1] http://www.cchem.berkeley.edu/jsngrp/fortran.html
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Parameters
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----------
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sto: :class:`pybamm.Symbol`
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Electrode stochiometry
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T: :class:`pybamm.Symbol`
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Dimensional temperature
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Returns
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-------
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:class:`pybamm.Symbol`
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Solid diffusivity
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"""
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D_ref = 8 * 10 ** (-15)
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E_D_s = 18550
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arrhenius = exp(E_D_s / constants.R * (1 / 298.15 - 1 / T))
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return D_ref * arrhenius

‎pybamm/input/parameters/lithium_ion/positive_electrodes/NMC_UMBL_Siegel2022/NMC_electrolyte_exchange_current_density_PeymanMPM.py

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from pybamm import exp, constants
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def NMC_electrolyte_exchange_current_density_PeymanMPM(c_e, c_s_surf, c_s_max, T):
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"""
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Exchange-current density for Butler-Volmer reactions between NMC and LiPF6 in
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EC:DMC.
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References
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----------
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.. Peyman MPM manuscript (to be submitted)
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Parameters
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----------
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c_e : :class:`pybamm.Symbol`
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Electrolyte concentration [mol.m-3]
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c_s_surf : :class:`pybamm.Symbol`
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Particle concentration [mol.m-3]
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c_s_max : :class:`pybamm.Symbol`
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Maximum particle concentration [mol.m-3]
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T : :class:`pybamm.Symbol`
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Temperature [K]
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Returns
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-------
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:class:`pybamm.Symbol`
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Exchange-current density [A.m-2]
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"""
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m_ref = 4.824 * 10 ** (-6) # (A/m2)(mol/m3)**1.5 - includes ref concentrations
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E_r = 39570
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arrhenius = exp(E_r / constants.R * (1 / 298.15 - 1 / T))
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return (
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m_ref * arrhenius * c_e**0.5 * c_s_surf**0.5 * (c_s_max - c_s_surf) ** 0.5
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)

‎pybamm/input/parameters/lithium_ion/positive_electrodes/NMC_UMBL_Siegel2022/NMC_entropic_change_PeymanMPM.py

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import pybamm
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def NMC_entropic_change_PeymanMPM(sto, c_s_max):
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"""
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Nickel Manganese Cobalt (NMC) entropic change in open circuit potential (OCP) at
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a temperature of 298.15K as a function of the OCP. The fit is taken from [1].
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References
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----------
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.. [1] W. Le, I. Belharouak, D. Vissers, K. Amine, "In situ thermal study of
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li1+ x [ni1/ 3co1/ 3mn1/ 3] 1- x o2 using isothermal micro-clorimetric
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techniques",
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J. of the Electrochemical Society 153 (11) (2006) A2147–A2151.
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Parameters
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----------
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sto : :class:`pybamm.Symbol`
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Stochiometry of material (li-fraction)
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"""
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# Since the equation uses the OCP at each stoichiometry as input,
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# we need OCP function here
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u_eq = (
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4.3452
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- 1.6518 * sto
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+ 1.6225 * sto ** 2
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- 2.0843 * sto ** 3
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+ 3.5146 * sto ** 4
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- 0.5623 * 10 ** (-4) * pybamm.exp(109.451 * sto - 100.006)
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)
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du_dT = (
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-800 + 779 * u_eq - 284 * u_eq ** 2 + 46 * u_eq ** 3 - 2.8 * u_eq ** 4
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) * 10 ** (-3)
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return du_dT

‎pybamm/input/parameters/lithium_ion/positive_electrodes/NMC_UMBL_Siegel2022/NMC_ocp_PeymanMPM.py

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import pybamm
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def NMC_ocp_PeymanMPM(sto):
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"""
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Nickel Managanese Cobalt Oxide (NMC) Open Circuit Potential (OCP) as a
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function of the stochiometry. The fit is taken from Peyman MPM.
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References
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----------
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Peyman MPM manuscript (to be submitted)
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Parameters
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----------
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sto : :class:`pybamm.Symbol`
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Stochiometry of material (li-fraction)
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"""
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u_eq = (
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4.3452
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- 1.6518 * sto
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+ 1.6225 * (sto ** 2)
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- 2.0843 * (sto ** 3)
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+ 3.5146 * (sto ** 4)
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- 2.2166 * (sto ** 5)
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- 0.5623e-4 * pybamm.exp(109.451 * sto - 100.006)
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)
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return u_eq
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# if __name__ == "__main__": # pragma: no cover
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# x = pybamm.linspace(0, 1)
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# pybamm.plot(x, NMC_ocp_PeymanMPM(x))

‎pybamm/input/parameters/lithium_ion/positive_electrodes/NMC_UMBL_Siegel2022/__init__.py

Whitespace-only changes.

‎pybamm/input/parameters/lithium_ion/positive_electrodes/NMC_UMBL_Siegel2022/parameters.csv

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Name [units],Value,Reference,Notes
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# Empty rows and rows starting with ‘#’ will be ignored,,,
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,,,
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# Electrode properties,,,
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Positive electrode conductivity [S.m-1],100,Scott Moura FastDFN,no info from Peyman MPM
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Maximum concentration in positive electrode [mol.m-3],35380,Peyman MPM, nickel manganese cobalt oxide
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Positive electrode diffusivity [m2.s-1],[function]NMC_diffusivity_PeymanMPM,,
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Positive electrode OCP [V],[function]NMC_ocp_PeymanMPM,,
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,,,
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# Microstructure,,,
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Positive electrode porosity,0.3,Siegel2022,
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Positive electrode active material volume fraction,0.6818,Siegel2022,rest is binder
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Positive particle radius [m],10E-06,Siegel2022,guess
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Positive electrode Bruggeman coefficient (electrode),1.5,Peyman MPM,
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Positive electrode Bruggeman coefficient (electrolyte),1.5,Peyman MPM,
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Positive electrode transport efficiency,0.16,
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,,,
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# Interfacial reactions,,,
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Positive electrode cation signed stoichiometry,-1,,no info from Peyman MPM
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Positive electrode electrons in reaction,1,,no info from Peyman MPM
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Positive electrode reference exchange-current density [A.m-2(m3.mol)1.5],4.824E-06,Peyman MPM,converted unit
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Positive electrode charge transfer coefficient,0.5,Peyman MPM,
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Positive electrode double-layer capacity [F.m-2],0.2,,no info from Peyman MPM
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Positive electrode exchange-current density [A.m-2],[function]NMC_electrolyte_exchange_current_density_PeymanMPM,,
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,,,
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# Density,,,
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Positive electrode density [kg.m-3],3100,Peyman MPM, cell lumped value
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,,,
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# Thermal parameters,,,
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Positive electrode specific heat capacity [J.kg-1.K-1],1100,Peyman MPM, cell lumped value
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Positive electrode thermal conductivity [W.m-1.K-1],2.1,,no info from Peyman MPM
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Positive electrode OCP entropic change [V.K-1],[function]NMC_entropic_change_PeymanMPM,

‎pybamm/input/parameters/lithium_ion/separators/separator_Siegel2022/parameters.csv

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Name [units],Value,Reference,Notes
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# Empty rows and rows starting with ‘#’ will be ignored,,,
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,,,
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Separator porosity,0.48,Siegel2022,
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Separator Bruggeman coefficient (electrolyte),1.5,Peyman MPM,
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Separator density [kg.m-3],516.67,,6.2g/m2
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Separator specific heat capacity [J.kg-1.K-1],700,,no info from Peyman MPM
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Separator thermal conductivity [W.m-1.K-1],0.16,,no info from Peyman MPM
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Separator transport efficiency , 0.25,

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