** ** This is an include file to be used for Electrochemistry analysis. ** This file has the property and parameter table definitions that are ** used by the in-built user subroutines. ** *********************************************** ** TABLE TYPES AND LABELS ARE CASE SENSITIVE ** *********************************************** **---------------------------------------------------------------------- *** PARAMETER AND PROPERTY TABLES FOR ELECTROLYTE **---------------------------------------------------------------------- *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrolyte", PARAMETER = 3 STRING, " " , "ELECTROLYTE NAME " FLOAT, 1.0, "Charge number of Lithium ion battery" FLOAT, , "\MU(LI)" *PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrolyte_ElecCond_Tabular", PROPERTIES=1, INDEPENDENT VARIABLES=2 *PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrolyte_MolarActivityCoeff_fPM", PROPERTIES=1, INDEPENDENT VARIABLES = 1 *PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrolyte_Transference", PROPERTIES=1, INDEPENDENT VARIABLES =1 *PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrolyte_DiffTabular", PROPERTIES=1, INDEPENDENT VARIABLES=2 **---------------------------------------------------------------------- *** PARAMETER AND PROPERTY TABLES FOR ELECTRODE **---------------------------------------------------------------------- *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Definition", PARAMETER=12 STRING, " ", "Region Name" STRING, " ", "Region Type: Anode / Cathode / Separator" FLOAT, , "Total volume fraction of solids" FLOAT, , "Volume fraction of electrolyte in cathode/anode" FLOAT, , "Volume fraction of binder in cathode/anode" FLOAT, , "Inactive volume fraction of solids" FLOAT, , "Fraction of utilization of the cathode (1.0 at the anode)" FLOAT, , "Capacity loss due to initial SEI formation in the first few cycles" FLOAT, , "Tortuosity factor in Thickness direction" FLOAT, , "Tortuosity factor in the Manufacturing Direction" FLOAT, , "Tortuosity factor in the Transverse Direction" FLOAT, , "Convection Coefficient" ** *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particles", PARAMETER = 5 STRING, " " , "Name of first particle type" FLOAT, , "Particle outer radius" FLOAT, , "epsilon solid phase particle" FLOAT, , "Initial concentration of particle" STRING, " " , "Formulation_Concentration or Formulation_ChemicalPotential" ** *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_Layers", PARAMETER = 2 STRING, " ", "Name of first (inner) layer - Carbon/Silicon/Binder/NMC811/NMC841/etc" FLOAT, , "Wt. percentage of layer 1" ** *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_Layer_Diffusion", PARAMETER = 3 FLOAT, 1.0E36 , "Max Li concentration in solid substance" STRING, " " , "Diffusion Model Type:" *** 1)DiffusionModel_Tabular; 2) DiffusionModel_LogTabular ;3) DiffusionModel_CoeffSpline" STRING, "DiffusionModel_ChemoMech", "Diffusion Model Type: DiffusionModel_ChemoMech" ** *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_Layer_Discretization", PARAMETER = 2 INTEGER, , "Number or segments/elements in this layer : VALUE BETWEEN 1-100" STRING, " " , "Distribution type: Uniform/Quadratic/EquiVolumetric" ** *PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_Layer_OCPTabular", PROPERTIES = 1, INDEPENDENT VARIABLES = 1 **** "OCP/ERef as a ftn of Cs (on the Surface of the particles) (and temperatures) *** E_REF, normalized c_S ** *PARAMETER TABLE TYPE,NAME="ABQ_EChemPET_Electrode_Particle_Layer_OCPTabularNoInterp", PARAMETERS = 2 FLOAT, 0.0, "OCP" FLOAT, 0.0, "NORMALIZED CONC" ** *PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_Layer_DsTabular", PROPERTIES = 1, INDEPENDENT VARIABLES=1 **** "D_s as a ftn of Cs (on the Surface of the particles) ** DiffusionCOEFF, normalized C_S ** *PROPERTY TABLE TYPE, NAME = "ABQ_EChemPET_Electrode_Particle_Layer_SwellingTabular", PROPERTIES = 1, INDEPENDENT VARIABLES = 1 **** "Swelling as a function of layer concentration " ** SwellingCoeff, Normalized averaged Concentration ** *PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_LogScale_Tabular", PROPERTIES = 1, INDEPENDENT VARIABLES=1 ** "D_s as a ftn of Cs (on the Surface of the particles)" ** *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_CubicSplineC2", PARAMETER = 6 *** "Define cubic spline polynomials data" FLOAT, 0.0 , "XSTART" FLOAT, 1.0 , "XEND" FLOAT, 0.0 , "COEFF_X^3" FLOAT, 0.0 , "COEFF_X^2" FLOAT, 0.0 , "COEFF_X^1" FLOAT, 0.0 , "COEFF_X^0" ** ***** BUTLER VOLMER DEFINITION **** *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_ButlerVolmer", PARAMETER = 8 FLOAT, 0.0, "Cathodic rate constant" FLOAT, 0.0, "Anodic rate constant" FLOAT, 0.0, "Cathodic transfer coefficient" FLOAT, 0.0, "Anodic transfer coefficient" FLOAT, 0.0, "Reference value of Li concentration in the electrolyte" FLOAT, 0.0, "Resistance of SEI - reduces the overpotential " FLOAT, 0.0, "partial molar volume coeff for hydrostratic stress at the surface" FLOAT, 0.0, "a_S: particle surface area/unit volume - zero for formula" ** *PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_CurrXchgDens_Tabular", PROPERTIES = 1, INDEPENDENT VARIABLE = 1 ** I_0(C_S, T) ** *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Arrhenius", PARAMETER = 2 FLOAT, 0.0, "Activation energy of diffusion coeff in this layer material" FLOAT, 0.0, "Reference Temperature" ** *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_PowerLoss", PARAMETER = 3 FLOAT, 1.0, "Fraction of Ohmic losses" *** " to transform into heat in electrode (0.0 - 1.0)" FLOAT, 1.0, "Fraction of Ohmic losses" *** " to transform into heat in electrolyte (0.0 - 1.0)" FLOAT, 1.0, "Fraction of Ohmic losses" *** " to transform into heat due to ionic diffusion (0.0 - 1.0)" ** *PARAMETER TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_PowerLoss", PARAMETER = 2 FLOAT, 1.0, "Fraction of Ohmic losses to transform into heat, (0.0 - 1.0)" FLOAT, 1.0, "Fraction of entropy generation terms to transform into heat (0.0 - 1.0)" ** *PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrode_Particle_dUdTEntropy_Tabular", PROPERTIES = 1, INDEPENDENT VARIABLE =1 *PROPERTY TABLE TYPE, NAME="ABQ_EChemPET_Electrode_ElecCond_Tabular", PROPERTIES = 1, INDEPENDENT VARIABLE =1 *** ****** ----------------- TYPE DEFINITION - END --------------------------------------