Electrolyte Direct Entries

ionworkspipeline.direct_entries.constant_electrolyte(c_e)

Returns a DirectEntry object with the electrolyte concentration set to a constant value.

Parameters

c_efloat

The electrolyte concentration in mol.m^-3.

Examples

>>> entry = constant_electrolyte(1000)
>>> entry.parameters["Initial concentration in electrolyte [mol.m-3]"]
1000

ionworkspipeline.direct_entries.nyman_electrolyte(c_e)

Return a DirectEntry object with the electrolyte parameters from [1]. The initial concentration set to the user-specified value.

Parameters

c_efloat

The initial electrolyte concentration in mol.m^-3.

References

[1]

A. Nyman, M. Behm, and G. Lindbergh, “Electrochemical characterisation and modelling of the mass transport phenomena in LiPF6-EC-EMC electrolyte,” Electrochim. Acta, vol. 53, no. 22, pp. 6356–6365, 2008.

Examples

>>> entry = nyman_electrolyte(1000)
>>> entry.parameters["Initial concentration in electrolyte [mol.m-3]"]
1000
>>> entry.parameters["Cation transference number"]
0.2594
>>> callable(entry.parameters["Electrolyte diffusivity [m2.s-1]"])
True

ionworkspipeline.direct_entries.landesfeind_electrolyte(c_e, system)

Returns a DirectEntry object with the electrolyte conductivity, diffusivity, thermodynamic factor, and transference number from [2]. The conductivity, diffusivity, and thermodynamic factor are functions of the electrolyte concentration and temperature.

Parameters

c_efloat

The initial electrolyte concentration in mol.m^-3.

systemstr

The electrolyte system to use. Must be one of:

• “EC:DMC (1:1)”

• “EC:EMC (3:7)”

• “EMC:FEC (19:1)”

References

[2]

Landesfeind, J. and Gasteiger, H.A., 2019. Temperature and Concentration Dependence of the Ionic Transport Properties of Lithium-Ion Battery Electrolytes. Journal of The Electrochemical Society, 166(14), pp.A3079-A3097.

Examples

>>> entry = landesfeind_electrolyte(1000, "EC:EMC (3:7)")
>>> entry.parameters["Initial concentration in electrolyte [mol.m-3]"]
1000
>>> "Electrolyte conductivity [S.m-1]" in entry.parameters
True

ionworkspipeline.direct_entries.arrhenius_electrolyte_diffusivity()

Returns a DirectEntry object with a reference diffusivity multiplied by arrhenius temperature dependence for the electrolyte. The reference diffusivity can be a constant, or a function of the electrolyte concentration.

The diffusivity is of the form:

\[D = D_{ref}(c_e) \exp(E / R (1 / 298.15 - 1 / T))\]

where \(D_{ref}\) is the reference diffusivity, \(E\) is the activation energy, \(R\) is the gas constant, and \(T\) is the temperature.

This leaves the following parameters to be defined (e.g. by fitting to data):

• Electrolyte reference diffusivity [m2.s-1] ($D_{ref}$)

• Electrolyte diffusivity activation energy [J.mol-1] ($E$)

Examples

>>> entry = arrhenius_electrolyte_diffusivity()
>>> "Electrolyte diffusivity [m2.s-1]" in entry.parameters
True

ionworkspipeline.direct_entries.arrhenius_electrolyte_conductivity()

Returns a DirectEntry object with a reference conductivity multiplied by arrhenius temperature dependence for the electrolyte. The reference conductivity can be a constant, or a function of the electrolyte concentration.

The conductivity is of the form:

\[\sigma = \sigma_{ref}(c_e) \exp(E / R (1 / 298.15 - 1 / T))\]

where \(\sigma_{ref}\) is the reference conductivity, \(E\) is the activation energy, \(R\) is the gas constant, and \(T\) is the temperature.

This leaves the following parameters to be defined (e.g. by fitting to data):

• Electrolyte reference conductivity [S.m-1] ($sigma_{ref}$)

• Electrolyte conductivity activation energy [J.mol-1] ($E$)

Examples

>>> entry = arrhenius_electrolyte_conductivity()
>>> "Electrolyte conductivity [S.m-1]" in entry.parameters
True