**----------------------------------------------- ** CATHODE **----------------------------------------------- **----------------------------------------------- *material, name=ABQ_EChemPET_matCathode *density 2292.0 *conductivity 1.e-4 *specific heat 900. *include, input= ecker-electrolyte_propParam-charge.inp *Parameter Table, Type="ABQ_EChemPET_Electrode_Definition", Label="ABQ_EChemPET_Electrode_Definition" "Cathode_NMC60", "Cathode", 0.704, 0.296, 0.0, 0.42, 1.0, 0.068, 0.544, 0.544, 0.544, 1.0 *Parameter Table, Type="ABQ_EChemPET_Electrode_Particles", Label = "ABQ_EChemPET_Cathode_NMC60_Particles" "Particle1", 6.49e-06, 1.0, 44694., "Formulation_Concentration" ** *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_Layers", Label="ABQ_EChemPET_Cathode_NMC60_Particle1_Layers" "Layer1", 1.0 *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_Layer_Diffusion", Label="ABQ_EChemPET_Cathode_NMC60_Particle1_Layer1_Diffusion" 48580.0 , "DiffusionModel_CoeffSpline", "DiffusionModel_ChemoMech" *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_Layer_Discretization",Label="ABQ_EChemPET_Cathode_NMC60_Particle1_Layer1_Discretization" 100, "Uniform" *** *** USE SPLINE FORM FOR DIFFUSION *** ** *Parameter Table, Type = "ABQ_EChemPET_CubicSplineC2", Label = "ABQ_EChemPET_Cathode_NMC60_Particle1_Layer1_DsCubicSpline" *** xStart Xend Coeff_x3, Coeff_x2, Coeff_x1, Coeff_x0 *** yTest = c0*(xTest-xTestMin)**3+ c1*(xTest-xTestMin)**2 + c2*(xTest-xTestMin) + c3 *** where xTestMin = XStart *** **------------------------------------------------ ** Direct coefficient (10**(10^-4 * data in the paper)). Added zero point. **------------------------------------------------ ** 0.0 , 0.033339067433333335 , 9.202221276927124e-12 , 5.139019658267758e-12 , 1.7316421443910863e-13 , 6.30957e-14 0.033339067433333335 , 0.06667813486666667 , 9.202221276927306e-12 , 6.059400085331539e-12 , 5.465090854177371e-13 , 7.492181887259585e-14 0.06667813486666667 , 0.1000172023 , -1.1824530895477272e-10 , 6.979780512395297e-12 , 9.812232066407653e-13 , 1.0021790436075291e-13 0.1000172023 , 0.13335626973333334 , 3.9154481197202923e-10 , -4.846784474360222e-12 , 1.05233530538785e-12 , 1.363072347305513e-13 0.13335626973333334 , 0.16669533716666668 , -4.92333953704519e-10 , 3.431443219416177e-11 , 2.034759199820023e-12 , 1.8051308824807124e-13 0.16669533716666668 , 0.2000344046 , -2.8938953189432223e-10 , -1.4927432452661987e-11 , 2.6811036915319013e-12 , 2.682463251205928e-13 0.2000344046 , 0.23337347203333333 , 4.5849029280414045e-10 , -4.3871363807638695e-11 , 7.208066580109105e-13 , 3.3031641592213136e-13 0.23337347203333333 , 0.2667125394666667 , -2.6845144759674753e-11 , 1.9855525603392677e-12 , -6.756272276626772e-13 , 3.2257459251265426e-13 0.2667125394666667 , 0.3000516069 , -3.443750782645097e-11 , -6.994237138619175e-13 , -6.327488913220133e-13 , 3.012619615922319e-13 0.3000516069 , 0.33339067433333336 , -4.463829861260742e-12 , -4.143766900847903e-12 , -7.942163498183107e-13 , 2.7811317718908874e-13 0.33339067433333336 , 0.3667297417666667 , 8.852903476857824e-11 , -4.590226675114393e-12 , -1.0853995506096185e-12 , 2.468635627458888e-13 0.3667297417666667 , 0.4000688092 , -3.117209589275459e-11 , 4.264199704758213e-12 , -1.096268985759408e-12 , 2.0885589274772592e-13 0.4000688092 , 0.43340787663333336 , -3.2979590121215785e-11 , 1.1464538837375537e-12 , -9.158828409141399e-13 , 1.7589181902276464e-13 0.43340787663333336 , 0.46674694406666667 , 1.636929307107369e-12 , -2.15207245318718e-12 , -9.49409226213233e-13 , 1.4540931840341447e-13 0.46674694406666667 , 0.5000860115 , 7.664814968618173e-11 , -1.9883513635274477e-12 , -1.0874470950412608e-12 , 1.1142554412801808e-13 0.5000860115 , 0.5334250789333334 , -3.1082227340161325e-11 , 5.677782129556058e-12 , -9.64444913942018e-13 , 7.580131828233043e-14 0.5334250789333334 , 0.5667641463666667 , -3.1597445067096253e-12 , 2.5690247097405366e-12 , -6.895040646170336e-13 , 4.880665391995776e-14 0.5667641463666667 , 0.6001032138 , -2.5015771105533318e-11 , 2.2529959041966324e-12 , -5.287423942040584e-13 , 2.8557597488937596e-14 0.6001032138 , 0.6334422812333333 , 1.971597090221542e-10 , -2.4901153515597375e-13 , -4.619314241892664e-13 , 1.2507021004167355e-14 0.6334422812333333 , 0.6667813486666667 , -2.1394211566906188e-10 , 1.9470350967521982e-11 , 1.788901073053736e-13 , 4.135863959901705e-15 0.6667813486666667 , 0.7001204161 , 5.793699822449411e-10 , -1.9275408958405827e-12 , 7.63751035255319e-13 , 2.381318826032534e-14 0.7001204161 , 0.7334594835333333 , -1.2008443617554933e-09 , 5.601942382489899e-11 , 2.567123967823165e-12 , 6.860270978997287e-14 0.7334594835333333 , 0.7667985509666667 , 4.29036222714556e-10 , -6.408566963561468e-11 , 2.298202854805871e-12 , 1.7195477609713817e-13 0.7667985509666667 , 0.8001376184 , 3.370545475111118e-10 , -2.117466695434501e-11 , -5.44297256155496e-13 , 1.9324234844118794e-13 0.8001376184 , 0.8334766858333333 , -8.091891399894128e-11 , 1.253658591020875e-11 , -8.322828225805526e-13 , 1.640504277968878e-13 0.8334766858333333 , 0.8668157532666667 , -1.9926643464046547e-10 , 4.4433025188803245e-12 , -2.661891772326749e-13 , 1.4723868362818726e-13 0.8668157532666667 , 0.9001548207000001 , -6.649956143759588e-11 , -1.5486768786154834e-11 , -6.34368043815083e-13 , 1.3591883851186926e-13 0.9001548207000001 , 0.9334938881333333 , 5.291854356117718e-10 , -2.2137868875320166e-11 , -1.888738375965732e-12 , 9.509193997110691e-14 0.9334938881333333 , 0.9668329555666667 , -1.7542593882895528e-10 , 3.078977789247592e-11 , -1.6002917978157121e-12 , 2.7126645354644346e-14 0.9668329555666667 , 1.000172023 , -1.7542593882895487e-10 , 1.3244166279952868e-11 , -1.3224116369547227e-13 , 1.4964340392054496e-15 *Parameter Table, Type="ABQ_EChemPET_Arrhenius", Label = "ABQ_EChemPET_Cathode_NMC60_Particle1_Layer1_DiffArrhenius" 80600., 296.15, ***-------------------------------------------- *Property Table, Type="ABQ_EChemPET_Electrode_Particle_Layer_OCPTabular", Label="ABQ_EChemPET_Cathode_NMC60_Particle1_Layer1_OCPTabular" ***** , , ***** [V] [-] (normalization) [K] - Ecker JES 2015a Fig 5(a) 4.582938389, 0 4.545023697, 0.040268456 4.526066351, 0.087248322 4.469194313, 0.134228188 4.393364929, 0.182885906 4.298578199, 0.228187919 4.213270142, 0.275167785 4.146919431, 0.322147651 4.08056872, 0.365771812 4.033175355, 0.411073826 3.985781991, 0.463087248 3.952606635, 0.505033557 3.928909953, 0.55033557 3.91943128, 0.57885906 3.909952607, 0.620805369 3.900473934, 0.67114094 3.881516588, 0.714765101 3.819905213, 0.765100671 3.748815166, 0.812080537 3.706161137, 0.855704698 3.6492891, 0.901006711 3.578199052, 0.947986577 3.511848341, 1 *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_Layer_OCPTabularNoInterp", Label="ABQ_EChemPET_Cathode_NMC60_Particle1_Layer1_OCPTabularCharge" ***** , , ***** [V] [-] (normalization) [K] - Ecker JES 2015a Fig 5(a) 4.582938389, 0 4.545023697, 0.040268456 4.526066351, 0.087248322 4.469194313, 0.134228188 4.393364929, 0.182885906 4.298578199, 0.228187919 4.213270142, 0.275167785 4.146919431, 0.322147651 4.08056872, 0.365771812 4.033175355, 0.411073826 3.985781991, 0.463087248 3.952606635, 0.505033557 3.928909953, 0.55033557 3.91943128, 0.57885906 3.909952607, 0.620805369 3.900473934, 0.67114094 3.881516588, 0.714765101 3.819905213, 0.765100671 3.748815166, 0.812080537 3.706161137, 0.855704698 3.6492891, 0.901006711 3.578199052, 0.947986577 3.511848341, 1 *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_Layer_OCPTabularNoInterp", Label="ABQ_EChemPET_Cathode_NMC60_Particle1_Layer1_OCPTabularDisCharge" ***** , , ***** [V] [-] (normalization) [K] - Ecker JES 2015a Fig 5(a) 4.582938389, 0 4.545023697, 0.040268456 4.526066351, 0.087248322 4.469194313, 0.134228188 4.393364929, 0.182885906 4.298578199, 0.228187919 4.213270142, 0.275167785 4.146919431, 0.322147651 4.08056872, 0.365771812 4.033175355, 0.411073826 3.985781991, 0.463087248 3.952606635, 0.505033557 3.928909953, 0.55033557 3.91943128, 0.57885906 3.909952607, 0.620805369 3.900473934, 0.67114094 3.881516588, 0.714765101 3.819905213, 0.765100671 3.748815166, 0.812080537 3.706161137, 0.855704698 3.6492891, 0.901006711 3.578199052, 0.947986577 3.511848341, 1 ** SWELLING INFORMATION PER LAYER *Property Table, Type = "ABQ_EChemPET_Electrode_Particle_Layer_SwellingTabular", Label = "ABQ_EChemPET_Cathode_NMC60_Particle1_Layer1_SwellingTabular" 1, 0 1, 1 ** BUTLER VOLMER EQUATIONS *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_ButlerVolmer", Label="ABQ_EChemPET_Cathode_NMC60_Particle1_ButlerVolmer" ** k_c, k_a,alpha_c,alpha_a, 1.0, 0.0, 0.0, 0.0 ** [-] [-] [-] [-] [mol/m3] [Omega/m2] [-] 2.497e-11, 2.497e-11, 0.473, 0.527, 1.0, 0., 0., 0.0 ** ** ** *Parameter Table, Type="ABQ_EChemPET_Arrhenius", Label="ABQ_EChemPET_Cathode_NMC60_Particle1_BVArrhenius" 43600., 296.15, *Parameter Table, Type="ABQ_EChemPET_Electrode_Particle_PowerLoss", Label="ABQ_EChemPET_Cathode_NMC60_Particle1_PowerLoss" ** , General Assumption 1., 1. *Property Table, Type ="ABQ_EChemPET_Electrode_Particle_dUdTEntropy_Tabular", Label="ABQ_EChemPET_Cathode_NMC60_Particle1_dUdTEntropy_Tabular" ** , - Mastali 2018 Fig 6 (used LiC data) Need to define the unit of dU/dT ** [V/K] [-] -1.80541E-05, 0.001273153 5.8393E-05, 0.051527977 3.41491E-05, 0.104780497 1.68457E-05, 0.154722819 5.3295E-06, 0.204684432 -3.87579E-06, 0.251320414 -2.11752E-05, 0.304596083 -2.45935E-05, 0.351251355 -3.84265E-05, 0.399538578 -4.53092E-05, 0.452848969 -5.79809E-05, 0.504473397 -5.90901E-05, 0.546136366 -7.17541E-05, 0.604427486 -7.51762E-05, 0.647749413 -8.89996E-05, 0.704370001 -9.589E-05, 0.7510137 -0.000123614, 0.797587954 -0.000139756, 0.85086748 -7.48849E-05, 0.89941705 -0.000169731, 0.95243423 -0.000375694, 1.0000 *** *Parameter Table, Type="ABQ_EChemPET_Electrode_PowerLoss", Label="ABQ_EChemPET_Cathode_NMC60_PowerLoss" ** Terms3, term4, term5 Kumaresan A10 1.0, 1.0, 1.0 *Property Table, Type="ABQ_EChemPET_Electrode_ElecCond_Tabular", Label="ABQ_EChemPET_Cathode_NMC60_ElecCond_Tabular", Temperature ** , , -Ecker 2015b Table II 0.681e2, 0.0, 290.15 0.681e2, 1.0, 290.15 0.681e2, 0.0, 298.15 0.681e2, 1.0, 298.15 *Porous Electrode Theory