From c6f80e9ae2b2bbda073beb2fff4e04dfbbe1b417 Mon Sep 17 00:00:00 2001 From: Ombrini <91598680+Ombrini@users.noreply.github.com> Date: Wed, 15 May 2024 13:45:46 +0200 Subject: [PATCH] basic param systems --- configs/params_LFP.cfg | 14 ++--- configs/params_system.cfg | 54 +++++++++--------- configs/params_system_GITT.cfg | 97 +++++++++++++++++++++++++++++++ configs/params_system_LFP.cfg | 11 ++-- configs/params_system_LFP_CV.cfg | 83 ++++++++++++++++----------- configs/params_system_Temp.cfg | 36 ++++++------ configs/params_system_no_net.cfg | 98 ++++++++++++++++++++++++++++++++ 7 files changed, 301 insertions(+), 92 deletions(-) create mode 100644 configs/params_system_GITT.cfg create mode 100644 configs/params_system_no_net.cfg diff --git a/configs/params_LFP.cfg b/configs/params_LFP.cfg index c4ed17b3..3d0fe196 100644 --- a/configs/params_LFP.cfg +++ b/configs/params_LFP.cfg @@ -1,8 +1,8 @@ [Particles] -type = ACR +type = homog_sdn discretization = 1e-09 shape = C3 -thickness = 40e-9 +thickness = 30e-9 std_thickness = 20e-9 [Material] @@ -16,9 +16,9 @@ B = 0.1916e9 rho_s = 1.3793e28 D = 1e-17 Dfunc = lattice -dgammadc = 5e-30 -natural_bc = true -delta_gamma_vert = -15e-30 +dgammadc = 10e-30 +natural_bc = false +delta_gamma_vert = 0e-30 cwet = 0.98 D_surf = 1e-18 E_D_surf = 0 @@ -26,8 +26,8 @@ E_D_surf = 0 [Reactions] surface_diffusion = false rxnType = CIET -k0 = 3 -E_A = 10000 +k0 = 15 +E_A = 11000 alpha = 0.5 lambda = 3.4113e-20 Rfilm = 0 diff --git a/configs/params_system.cfg b/configs/params_system.cfg index 73352035..e1049e33 100644 --- a/configs/params_system.cfg +++ b/configs/params_system.cfg @@ -1,39 +1,42 @@ [Sim Params] -profileType = CC -Crate = 1 -Vmax = 5 +profileType = CCsegments +Crate = 0.1 +Vmax = 4 Vmin = 2.5 Vset = 0.12 power = 1 segments = [ - (0.01, 2000), + (0.1, 100), + (3,4), + (0,60), + (0.1, 300) ] prevDir = false tend = 1.2e3 -tsteps = 200 -relTol = 1e-06 -absTol = 1e-06 +tsteps = 600 +relTol = 1e-6 +absTol = 1e-6 T = 298 nonisothermal = false randomSeed = true seed = 0 dataReporter = mat Rser = 0. -Nvol_c = 1 +Nvol_c = 5 Nvol_s = 0 Nvol_a = 0 -Npart_c = 1 +Npart_c = 20 Npart_a = 0 [Electrodes] -cathode = params_LFMP.cfg +cathode = params_LFP.cfg anode = params_graphite.cfg k0_foil = 20 Rfilm_foil = 0e-0 [Particles] -mean_c = 25e-9 -stddev_c = 15e-9 +mean_c = 100e-9 +stddev_c = 50e-9 mean_a = 100e-9 stddev_a = 1e-9 specified_psd_c = False @@ -43,22 +46,21 @@ cs0_a = 0.99 [Conductivity] simBulkCond_c = true -sigma_s_c = 0.1 +sigma_s_c = 1 simBulkCond_a = false sigma_s_a = 0 -simPartCond_c = false -G_bulk_c = 1e-14 +simPartCond_c = true +simPartNet_c = true +sig_bulk_c = 5e-8 +E_sig_bulk_c = 0.6 c_dep_exp_c = 0 -carbon_coating_c = false -G_carb_c = 0 -G_mean_cont_c = 1e-15 -G_std_cont_c = 0 -simPartNet_c = false -avg_num_cont_c = 1 -std_num_cont_c = 1 -penalty_grid_cont_c = false -penalty_factor_c = 0.4 -perc_grid_c = 0.1 +sig_carb_c = 1e-10 +carb_thickness_c = 2e-9 +E_sig_carb_c = 0.3 +avg_num_cont_c = 2 +std_num_cont_c = 4 +perc_grid_c = 0.45 + [Thermal Parameters] cp_c = 700 @@ -92,7 +94,7 @@ zp = 1 zm = -1 nup = 1 num = 1 -elyteModelType = dilute +elyteModelType = SM SMset = valoen_bernardi n = 1 sp = -1 diff --git a/configs/params_system_GITT.cfg b/configs/params_system_GITT.cfg new file mode 100644 index 00000000..54e9af96 --- /dev/null +++ b/configs/params_system_GITT.cfg @@ -0,0 +1,97 @@ +[Sim Params] +profileType = CCsegments +Crate = 1 +Vmax = 5 +Vmin = 2.6 +Vset = 0.12 +power = 1 +segments = [(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),] +prevDir = false +tend = 1.2e3 +tsteps = 3000 +relTol = 1e-6 +absTol = 1e-6 +T = 298 +nonisothermal = false +randomSeed = true +seed = 0 +dataReporter = mat +Rser = 0. +Nvol_c = 30 +Nvol_s = 30 +Nvol_a = 0 +Npart_c = 20 +Npart_a = 0 + +[Electrodes] +cathode = params_LFP.cfg +anode = params_graphite.cfg +k0_foil = 20 +Rfilm_foil = 0e-0 + +[Particles] +mean_c = 300e-9 +stddev_c = 200e-9 +mean_a = 100e-9 +stddev_a = 1e-9 +specified_psd_c = False +specified_psd_a = False +cs0_c = 0.02 +cs0_a = 0.99 + +[Conductivity] +simBulkCond_c = true +sigma_s_c = 1 +simBulkCond_a = false +sigma_s_a = 0 +simPartCond_c = true +simPartNet_c = true +sig_bulk_c = 9e-8 +E_sig_bulk_c = 0.6 +c_dep_exp_c = 0 +sig_carb_c = 1e-10 +carb_thickness_c = 2e-9 +E_sig_carb_c = 0.3 +avg_num_cont_c = 2 +std_num_cont_c = 4 +perc_grid_c = 0.6 + +[Thermal Parameters] +cp_c = 700 +cp_s = 700 +cp_a = 700 +rhom_c = 2500 +rhom_s = 1100 +rhom_a = 2500 +h_h = 2e4 +k_h_c = 2.1 +k_h_a = 1.7 +k_h_s = 0.16 +entropy_heat_gen = False + +[Geometry] +L_c = 40e-6 +L_a = 50e-6 +L_s = 25e-6 +P_L_c = 0.90 +P_L_a = 0.69 +poros_c = 0.56 +poros_a = 0.4 +poros_s = 0.55 +BruggExp_c = -1.0 +BruggExp_a = -0.5 +BruggExp_s = -0.5 + +[Electrolyte] +c0 = 1000 +zp = 1 +zm = -1 +nup = 1 +num = 1 +elyteModelType = SM +SMset = valoen_bernardi +n = 1 +sp = -1 +Dp = 2.2e-10 +Dm = 2.94e-10 + diff --git a/configs/params_system_LFP.cfg b/configs/params_system_LFP.cfg index 0227a028..3a569972 100644 --- a/configs/params_system_LFP.cfg +++ b/configs/params_system_LFP.cfg @@ -1,6 +1,6 @@ [Sim Params] profileType = CC -Crate = 2 +Crate = 1 Vmax = 4 Vmin = 2.8 Vset = 0.12 @@ -46,18 +46,19 @@ sigma_s_c = 0.1 simBulkCond_a = false sigma_s_a = 0 simPartCond_c = true -G_bulk_c = 1e-14 +G_bulk_c = 5e-13 c_dep_exp_c = 0 carbon_coating_c = true G_carb_c = 0 -G_mean_cont_c = 1e-15 +G_mean_cont_c = 1e-11 G_std_cont_c = 0 simPartNet_c = true -avg_num_cont_c = 1 -std_num_cont_c = 1 +avg_num_cont_c = 2 +std_num_cont_c = 3 penalty_grid_cont_c = true penalty_factor_c = 0.4 perc_grid_c = 0.1 +E_G_c = 0.4 [Thermal Parameters] diff --git a/configs/params_system_LFP_CV.cfg b/configs/params_system_LFP_CV.cfg index fe378de4..3659a6f9 100644 --- a/configs/params_system_LFP_CV.cfg +++ b/configs/params_system_LFP_CV.cfg @@ -1,70 +1,85 @@ [Sim Params] profileType = CVsegments -Crate = 10 -Vmax = 6 -Vmin = 2 -Vset = 0.12 +Crate = 1 +tramp = 0 +Vmax = 4 +Vmin = 2.6 +Vset = 3.32 power = 1 -segments = [(3.4,30),(3.473385140826484,100)] +segments = [(3.3192297183470325,500.0)] prevDir = false tend = 1.2e3 -tsteps = 1000 -relTol = 1e-7 -absTol = 1e-7 +tsteps = 400 +relTol = 1e-6 +absTol = 1e-6 T = 298 nonisothermal = false randomSeed = true seed = 0 dataReporter = mat Rser = 0. -Nvol_c = 1 -Nvol_s = 0 +Nvol_c = 40 +Nvol_s = 30 Nvol_a = 0 -Npart_c = 50 +Npart_c = 20 Npart_a = 0 [Electrodes] -cathode = params_LFP_def.cfg -anode = params_graphite_1param.cfg -k0_foil = 50 +cathode = params_LFP.cfg +anode = params_graphite.cfg +k0_foil = 20 Rfilm_foil = 0e-0 [Particles] -mean_c = 50e-9 -stddev_c = 20e-9 +mean_c = 300e-9 +stddev_c = 200e-9 mean_a = 100e-9 stddev_a = 1e-9 specified_psd_c = False specified_psd_a = False -cs0_c = 0.3 +cs0_c = 0.01 cs0_a = 0.99 [Conductivity] -simBulkCond_c = false -simBulkCond_a = false +simBulkCond_c = true sigma_s_c = 1 -sigma_s_a = 1e-1 -simPartCond_c = false -G_bulk_c = 1e-14 -c_dep_exp_c = 1 -carbon_coating_c = false -simPartNet_c = false -G_carb_c = 1e-14 -G_mean_cont_c = 1e-14 -G_std_cont_c = 1e-12 +simBulkCond_a = false +sigma_s_a = 0 +simPartCond_c = true +simPartNet_c = true +sig_bulk_c = 3e-8 +E_sig_bulk_c = 0.6 +c_dep_exp_c = 0 +sig_carb_c = 1e-10 +carb_thickness_c = 2e-9 +E_sig_carb_c = 0.3 +avg_num_cont_c = 2 +std_num_cont_c = 4 +perc_grid_c = 0.45 [Thermal Parameters] +cp_c = 700 +cp_s = 700 +cp_a = 700 +rhom_c = 2500 +rhom_s = 1100 +rhom_a = 2500 +h_h = 2e4 +k_h_c = 2.1 +k_h_a = 1.7 +k_h_s = 0.16 +entropy_heat_gen = False [Geometry] -L_c = 4e-6 +L_c = 40e-6 L_a = 50e-6 L_s = 25e-6 -P_L_c = 0.69 +P_L_c = 0.90 P_L_a = 0.69 -poros_c = 0.5 +poros_c = 0.56 poros_a = 0.4 -poros_s = 1.0 -BruggExp_c = -1 +poros_s = 0.55 +BruggExp_c = -1.0 BruggExp_a = -0.5 BruggExp_s = -0.5 @@ -74,7 +89,7 @@ zp = 1 zm = -1 nup = 1 num = 1 -elyteModelType = dilute +elyteModelType = SM SMset = valoen_bernardi n = 1 sp = -1 diff --git a/configs/params_system_Temp.cfg b/configs/params_system_Temp.cfg index 553bf7a6..2678b8bb 100644 --- a/configs/params_system_Temp.cfg +++ b/configs/params_system_Temp.cfg @@ -1,17 +1,15 @@ [Sim Params] -profileType = CVsegments -Crate = 1 +profileType = CCsegments +Crate = 2 tramp = 0 Vmax = 5 Vmin = 2.6 Vset = 3.32 power = 1 -segments = [ - (3.375, 200), - ] +segments = [(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),(0.9411764705882353,3.0),(0,30),] prevDir = false tend = 1.2e3 -tsteps = 200 +tsteps = 2000 relTol = 1e-6 absTol = 1e-6 T = 298 @@ -20,7 +18,7 @@ randomSeed = true seed = 0 dataReporter = mat Rser = 0. -Nvol_c = 10 +Nvol_c = 20 Nvol_s = 30 Nvol_a = 0 Npart_c = 20 @@ -49,17 +47,15 @@ simBulkCond_a = false sigma_s_a = 0 simPartCond_c = true simPartNet_c = true -sig_bulk_c = 1e-5 -E_sig_bulk_c = 0.5 -c_dep_exp_c = 0 - -sig_carb_c = 1e-4 -carb_thickness_c = 2e-9 -E_sig_carb_c = 0.4 - -avg_num_cont_c = 1 -std_num_cont_c = 3 -perc_grid_c = 0.7 +sig_bulk_c = 1e-6 +E_sig_bulk_c = 0.65 +c_dep_exp_c = 1 +sig_carb_c = 2e-4 +carb_thickness_c = 1e-9 +E_sig_carb_c = 0.5 +avg_num_cont_c = 2 +std_num_cont_c = 2 +perc_grid_c = 0.3 [Thermal Parameters] cp_c = 700 @@ -75,7 +71,7 @@ k_h_s = 0.16 entropy_heat_gen = False [Geometry] -L_c = 80e-6 +L_c = 40e-6 L_a = 50e-6 L_s = 25e-6 P_L_c = 0.90 @@ -83,7 +79,7 @@ P_L_a = 0.69 poros_c = 0.56 poros_a = 0.4 poros_s = 0.55 -BruggExp_c = -1.0 +BruggExp_c = -2 BruggExp_a = -0.5 BruggExp_s = -0.5 diff --git a/configs/params_system_no_net.cfg b/configs/params_system_no_net.cfg new file mode 100644 index 00000000..27962f7b --- /dev/null +++ b/configs/params_system_no_net.cfg @@ -0,0 +1,98 @@ +[Sim Params] +profileType = CVsegments +Crate = 0.5 +tramp = 0.01 +Vmax = 5 +Vmin = 2.6 +Vset = 3.32 +power = 1 +segments = [(3.3192297183470325,500.0)] +prevDir = false +tend = 1.2e3 +tsteps = 200 +relTol = 1e-6 +absTol = 1e-6 +T = 298 +nonisothermal = false +randomSeed = true +seed = 0 +dataReporter = mat +Rser = 0. +Nvol_c = 20 +Nvol_s = 30 +Nvol_a = 0 +Npart_c = 1 +Npart_a = 0 + +[Electrodes] +cathode = params_LFP_ss.cfg +anode = params_graphite.cfg +k0_foil = 20 +Rfilm_foil = 0e-0 + +[Particles] +mean_c = 150e-9 +stddev_c = 10e-9 +mean_a = 100e-9 +stddev_a = 1e-9 +specified_psd_c = False +specified_psd_a = False +cs0_c = 0.02 +cs0_a = 0.99 + +[Conductivity] +simBulkCond_c = true +sigma_s_c = 0.01 +simBulkCond_a = false +sigma_s_a = 0 +simPartCond_c = false +simPartNet_c = false +sig_bulk_c = 5e-8 +E_sig_bulk_c = 0.4 +c_dep_exp_c = 0 +sig_carb_c = 1e-10 +carb_thickness_c = 2e-9 +E_sig_carb_c = 0.3 +avg_num_cont_c = 2 +std_num_cont_c = 5 +perc_grid_c = 0.35 + +[Thermal Parameters] +cp_c = 700 +cp_s = 700 +cp_a = 700 +rhom_c = 2500 +rhom_s = 1100 +rhom_a = 2500 +h_h = 2e4 +k_h_c = 2.1 +k_h_a = 1.7 +k_h_s = 0.16 +entropy_heat_gen = False + +[Geometry] +L_c = 40e-6 +L_a = 50e-6 +L_s = 25e-6 +P_L_c = 0.90 +P_L_a = 0.69 +poros_c = 0.56 +poros_a = 0.4 +poros_s = 0.55 +BruggExp_c = -1.0 +BruggExp_a = -0.5 +BruggExp_s = -0.5 + +[Electrolyte] +c0 = 1000 +zp = 1 +zm = -1 +nup = 1 +num = 1 +elyteModelType = SM +SMset = valoen_bernardi +n = 1 +sp = -1 +Dp = 2.2e-10 +Dm = 2.94e-10 +