COMSOL 6.3 - Electrochemistry Material Properties

Electrochemistry Material Properties

The following material property groups are used for electrochemistry in the Battery Design Module, Corrosion Module, Electrochemistry Module, Electrodeposition Module, and Fuel Cell & Electrolyzer Module.

Table 9-13: Electrochemistry Materials.
Property Group and Property	Name/Variable	SI Unit
Diffusion time Constant
Diffusion time constant	taumat	s
Dimensionless charge exchange current
Dimensionless charge exchange current	J0mat	1
Electrolyte Conductivity
Electrolyte conductivity	sigmal	S/m
Electrolyte Salt Concentration
Electrolyte salt concentration	cElsalt	mol/m3
Equilibrium Concentration	This node defines the equilibrium concentration for a given potential in intercalating electrode materials.
Equilibrium concentration	cEeqref	mol/m3
Equilibrium degree of conversion	This node defines the equilibrium degree of conversion for a given potential in battery electrode materials.
Equilibrium degree of conversion	docEq	1
Equilibrium Potential
Equilibrium potential	Eeq	V
Reference concentration	cEeqref	mol/m3
Temperature derivative of equilibrium potential	dEeqdT	V/K
Equilibrium Potential (using degrees of conversion as model input)	This node defines the equilibrium potential for a given degree of conversion in battery electrodes.
Equilibrium potential	Eeq	V
Temperature derivative of equilibrium potential	dEeqdT	V/K
Intercalation Strain	This node defines a material property for the volumetric strain to be used with the Linear Elastic Material > Intercalation Strain node in Solid Mechanics.
Linearized Resistivity	This node defines the electric resistivity (and conductivity) as a linear function of temperature.
Reference resistivity	rho0	Ω·m
Reference temperature	Tref	K
Resistivity temperature coefficient	alpha	1/K
Local current density
Local current density expression	ilocmat	A/m2
Lumped Battery, basic	This node contains a set of lumped battery parameters for the Battery Pack interface.
Initial battery cell capacity	Q_cellmat	C
Ohmic overpotential at 1C	eta_ir1Cmat	V
Open circuit voltage at reference temperature	Eocvmat	V
Reference temperature	Trefmat	K
Temperature derivative of open circuit voltage	dEocvdTmat	V/K
Membrane crossover	This node defines the permeation coefficients of various gases in a membrane.
Permeation coefficient	Psi_H2	s·mol/kg
Permeation coefficient	Psi_O2	s·mol/kg
Permeation coefficient	Psi_N2	s·mol/kg
Operational Electrode State-of-Charge
Maximum electrode state-of-charge	socmax	1
Minimum electrode state-of-charge	socmin	1
Polymer electrolyte water absorption-desorption	This node defines the water absorption-desorption rate constant at the interface between a polymer electrolyte and an adjacent gas.
Absorption-desorption rate constant	k_abs_dsp	mol/(m2·s)
Polymer electrolyte water transport	This node defines the transport properties of water in a polymer electrolyte.
Water transport coefficient	alpha	s·mol2/(kg·m3)
Electroosmotic coefficient	xi	1
Resistor–capacitor pair
RC time constant	tau_RCmat	s
RC potential at 1 C	E_RC1Cmat	V
Species Properties
Transport number	transNum	1
Water vapor-liquid phase transition	This node defines the heat of vaporization and vapor pressure of an aqueous electrolyte.
Vapor pressure	p_vap	Pa
Heat of vaporization	H_vap	J/mol