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basic param systems
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@Ombrini
Ombrini committed May 15, 2024
1 parent f277f67 commit c6f80e9
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Showing 7 changed files with 301 additions and 92 deletions.
14 changes: 7 additions & 7 deletions configs/params_LFP.cfg
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Original file line number Diff line number Diff line change
@@ -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]
Expand All @@ -16,18 +16,18 @@ 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

[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
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54 changes: 28 additions & 26 deletions configs/params_system.cfg
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Original file line number Diff line number Diff line change
@@ -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
Expand All @@ -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
Expand Down Expand Up @@ -92,7 +94,7 @@ zp = 1
zm = -1
nup = 1
num = 1
elyteModelType = dilute
elyteModelType = SM
SMset = valoen_bernardi
n = 1
sp = -1
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97 changes: 97 additions & 0 deletions configs/params_system_GITT.cfg
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Original file line number Diff line number Diff line change
@@ -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

11 changes: 6 additions & 5 deletions configs/params_system_LFP.cfg
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Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
[Sim Params]
profileType = CC
Crate = 2
Crate = 1
Vmax = 4
Vmin = 2.8
Vset = 0.12
Expand Down Expand Up @@ -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]

Expand Down
83 changes: 49 additions & 34 deletions configs/params_system_LFP_CV.cfg
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Original file line number Diff line number Diff line change
@@ -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

Expand All @@ -74,7 +89,7 @@ zp = 1
zm = -1
nup = 1
num = 1
elyteModelType = dilute
elyteModelType = SM
SMset = valoen_bernardi
n = 1
sp = -1
Expand Down
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