Skip to content

Update LFP properties #18

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
c-randall merged 2 commits into from
May 30, 2025
Merged

Update LFP properties #18

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
2 commits
Select commit Hold shift + click to select a range
fae1ebd
Update LFP properties
c-randall May 30, 2025
1e02ec8
Update CHANGELOG for PR#18
c-randall May 30, 2025
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
1 change: 1 addition & 0 deletions CHANGELOG.md
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -3,6 +3,7 @@
## [Unreleased](https://github.com/NREL/BATMODS-lite/)

### New Features
- Update `materials` module with new LFP properties, from ICI ([#18](https://github.com/NREL/BATMODS-lite/pull/18))
- Use `CubicSpline` interpolations for LFP properties ([#15](https://github.com/NREL/BATMODS-lite/pull/15))
- Add degradation parameters for the electrolyte (applies to P2D only) ([#14](https://github.com/NREL/BATMODS-lite/pull/14))
- Add `submodels` modules with optional `Hysteresis` class, and directional `Ds` / `i0` ([#13](https://github.com/NREL/BATMODS-lite/pull/13))
Expand Down
8 changes: 4 additions & 4 deletions images/coverage.svg
View file
Open in desktop
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
8 changes: 4 additions & 4 deletions images/tests.svg
View file
Open in desktop
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
90 changes: 45 additions & 45 deletions src/bmlite/P2D/templates/graphite_lfp.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,57 +1,57 @@
battery:
cap: 0.0377 # Nominal capacity [A*h]
temp: 303.15 # Temperature [K]
area: 0.00141 # Cell area [m2]
cap: 0.0377 # Nominal capacity [A*h]
temp: 303.15 # Temperature [K]
area: 0.00141 # Cell area [m2]

electrolyte:
Li_0: 1.2 # Initial Li+ conc. [kmol/m3]
material: Gen2Electrolyte # Electrolyte material class [-]
D_deg: 1.0 # Degradation factor for D [-]
t0_deg: 1.0 # Degradation factor for t0 [-]
kappa_deg: 1.0 # Degradation factor for kappa [-]
gamma_deg: 1.0 # Degradation factor for gamma [-]
Li_0: 1.2 # Initial Li+ conc. [kmol/m3]
material: Gen2Electrolyte # Electrolyte material class [-]
D_deg: 1.0 # Degradation factor for D [-]
t0_deg: 1.0 # Degradation factor for t0 [-]
kappa_deg: 1.0 # Degradation factor for kappa [-]
gamma_deg: 1.0 # Degradation factor for gamma [-]

anode:
Nx: 20 # Number of x discretizations [-]
Nr: 10 # Number of r discretizations [-]
thick: 86.12e-6 # Thickness [m]
R_s: 4.3e-6 # Secondary particle radius [m]
eps_s: 0.637 # Solid-phase volume frac. [-]
eps_el: 0.363 # Electrolyte volume frac. [-]
eps_CBD: 0.10174 # Carbon-binder-domain volume frac. [-]
p_sol: 2.2 # Solid-phase Bruggeman factor (eps**p) [-]
p_liq: 2.052 # Liquid-phase Bruggeman factor (eps**p) [-]
alpha_a: 0.5 # Anodic charge transfer coeff. [-]
alpha_c: 0.5 # Cathodic charge transfer coeff. [-]
Li_max: 29.592 # Maximum solid-phase Li conc. [kmol/m3]
x_0: 0.05 # Initial intercalation frac. [-]
i0_deg: 1.0 # Degradation factor for i0 [-]
Ds_deg: 2.0 # Degradation factor for Ds [-]
material: GraphiteSlowExtrap # Anode active material class [-]
Nx: 20 # Number of x discretizations [-]
Nr: 20 # Number of r discretizations [-]
thick: 86.12e-6 # Thickness [m]
R_s: 4.3e-6 # Secondary particle radius [m]
eps_s: 0.637 # Solid-phase volume frac. [-]
eps_el: 0.363 # Electrolyte volume frac. [-]
eps_CBD: 0.10174 # Carbon-binder-domain volume frac. [-]
p_sol: 2.2 # Solids Bruggeman factor (eps**p) [-]
p_liq: 2.052 # Liquids Bruggeman factor (eps**p) [-]
alpha_a: 0.5 # Anodic charge transfer coeff. [-]
alpha_c: 0.5 # Cathodic charge transfer coeff. [-]
Li_max: 29.592 # Maximum solid-phase Li conc. [kmol/m3]
x_0: 0.05 # Initial intercalation frac. [-]
i0_deg: 1.0 # Degradation factor for i0 [-]
Ds_deg: 2.0 # Degradation factor for Ds [-]
material: GraphiteSlowExtrap # Anode active material class [-]

separator:
Nx: 10 # Number of x discretizations [-]
thick: 9.0e-6 # Thickness [m]
eps_el: 0.4 # Electrolyte volume frac. [-]
p_liq: 2.2 # Liquid-phase Bruggeman factor (eps**p) [-]
Nx: 20 # Number of x discretizations [-]
thick: 9.0e-6 # Thickness [m]
eps_el: 0.4 # Electrolyte volume frac. [-]
p_liq: 2.2 # Liquids Bruggeman factor (eps**p) [-]

cathode:
Nx: 20 # Number of x discretizations [-]
Nr: 10 # Number of r discretizations [-]
thick: 152.32e-6 # Thickness [m]
R_s: 0.5e-6 # Secondary particle radius [m]
eps_s: 0.516 # Solid-phase volume frac. [-]
eps_el: 0.484 # Electrolyte volume frac. [-]
eps_CBD: 0.17925 # Carbon-binder-domain volume frac. [-]
p_sol: 2.2 # Solid-phase Bruggeman factor (eps**p) [-]
p_liq: 2.1 # Liquid-phase Bruggeman factor (eps**p) [-]
alpha_a: 0.5 # Anodic charge transfer coeff. [-]
alpha_c: 0.5 # Cathodic charge transfer coeff. [-]
Li_max: 22.835 # Maximum solid-phase Li conc. [kmol/m3]
x_0: 0.87 # Initial intercalation frac. [-]
i0_deg: 0.02 # Degradation factor for i0 [-]
Ds_deg: 25.0 # Degradation factor for Ds [-]
material: LFPInterp # Cathode active material class [-]
Nx: 20 # Number of x discretizations [-]
Nr: 20 # Number of r discretizations [-]
thick: 152.32e-6 # Thickness [m]
R_s: 0.25e-6 # Secondary particle radius [m]
eps_s: 0.516 # Solid-phase volume frac. [-]
eps_el: 0.484 # Electrolyte volume frac. [-]
eps_CBD: 0.17925 # Carbon-binder-domain volume frac. [-]
p_sol: 2.2 # Solids Bruggeman factor (eps**p) [-]
p_liq: 2.1 # Liquids Bruggeman factor (eps**p) [-]
alpha_a: 0.5 # Anodic charge transfer coeff. [-]
alpha_c: 0.5 # Cathodic charge transfer coeff. [-]
Li_max: 22.835 # Maximum solid-phase Li conc. [kmol/m3]
x_0: 0.87 # Initial intercalation frac. [-]
i0_deg: 0.02 # Degradation factor for i0 [-]
Ds_deg: 1.0 # Degradation factor for Ds [-]
material: LFPInterp # Cathode active material class [-]

submodels:
Hysteresis:
Expand Down
90 changes: 45 additions & 45 deletions src/bmlite/P2D/templates/graphite_nmc532.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,54 +1,54 @@
battery:
cap: 1.89e-2 # Nominal capacity [A*h]
temp: 303.15 # Temperature [K]
area: 1.4e-3 # Cell area [m2]
cap: 1.89e-2 # Nominal capacity [A*h]
temp: 303.15 # Temperature [K]
area: 1.4e-3 # Cell area [m2]

electrolyte:
Li_0: 1.2 # Initial Li+ conc. [kmol/m3]
material: Gen2Electrolyte # Electrolyte material class [-]
D_deg: 1.0 # Degradation factor for D [-]
t0_deg: 1.0 # Degradation factor for t0 [-]
kappa_deg: 1.0 # Degradation factor for kappa [-]
gamma_deg: 1.0 # Degradation factor for gamma [-]
Li_0: 1.2 # Initial Li+ conc. [kmol/m3]
material: Gen2Electrolyte # Electrolyte material class [-]
D_deg: 1.0 # Degradation factor for D [-]
t0_deg: 1.0 # Degradation factor for t0 [-]
kappa_deg: 1.0 # Degradation factor for kappa [-]
gamma_deg: 1.0 # Degradation factor for gamma [-]

anode:
Nx: 32 # Number of x discretizations [-]
Nr: 30 # Number of r discretizations [-]
thick: 44.0e-6 # Thickness [m]
R_s: 4.0e-6 # Secondary particle radius [m]
eps_s: 0.6 # Solid-phase volume frac. [-]
eps_el: 0.4 # Electrolyte volume frac. [-]
eps_CBD: 0.0569272237 # Carbon-binder-domain volume frac. [-]
p_sol: 2. # Solid-phase Bruggeman factor (eps**p) [-]
p_liq: 2. # Liquid-phase Bruggeman factor (eps**p) [-]
alpha_a: 0.5 # Anodic charge transfer coeff. [-]
alpha_c: 0.5 # Cathodic charge transfer coeff. [-]
Li_max: 30.53 # Maximum solid-phase Li conc. [kmol/m3]
x_0: 0.91 # Initial intercalation frac. [-]
i0_deg: 0.5 # Degradation factor for i0 [-]
Ds_deg: 1.0 # Degradation factor for Ds [-]
material: GraphiteSlowExtrap # Anode active material class [-]
Nx: 32 # Number of x discretizations [-]
Nr: 30 # Number of r discretizations [-]
thick: 44.0e-6 # Thickness [m]
R_s: 4.0e-6 # Secondary particle radius [m]
eps_s: 0.6 # Solid-phase volume frac. [-]
eps_el: 0.4 # Electrolyte volume frac. [-]
eps_CBD: 0.0569272237 # Carbon-binder-domain volume frac. [-]
p_sol: 2. # Solids Bruggeman factor (eps**p) [-]
p_liq: 2. # Liquids Bruggeman factor (eps**p) [-]
alpha_a: 0.5 # Anodic charge transfer coeff. [-]
alpha_c: 0.5 # Cathodic charge transfer coeff. [-]
Li_max: 30.53 # Maximum solid-phase Li conc. [kmol/m3]
x_0: 0.91 # Initial intercalation frac. [-]
i0_deg: 0.5 # Degradation factor for i0 [-]
Ds_deg: 1.0 # Degradation factor for Ds [-]
material: GraphiteSlowExtrap # Anode active material class [-]

separator:
Nx: 32 # Number of x discretizations [-]
thick: 20.0e-6 # Thickness [m]
eps_el: 0.4 # Electrolyte volume frac. [-]
p_liq: 2. # Liquid-phase Bruggeman factor (eps**p) [-]
Nx: 32 # Number of x discretizations [-]
thick: 20.0e-6 # Thickness [m]
eps_el: 0.4 # Electrolyte volume frac. [-]
p_liq: 2. # Liquids Bruggeman factor (eps**p) [-]

cathode:
Nx: 32 # Number of x discretizations [-]
Nr: 30 # Number of r discretizations [-]
thick: 42.0e-6 # Thickness [m]
R_s: 1.8e-6 # Secondary particle radius [m]
eps_s: 0.6 # Solid-phase volume frac. [-]
eps_el: 0.4 # Electrolyte volume frac. [-]
eps_CBD: 0.12338 # Carbon-binder-domain volume frac. [-]
p_sol: 2. # Solid-phase Bruggeman factor (eps**p) [-]
p_liq: 2. # Liquid-phase Bruggeman factor (eps**p) [-]
alpha_a: 0.5 # Anodic charge transfer coeff. [-]
alpha_c: 0.5 # Cathodic charge transfer coeff. [-]
Li_max: 49.6 # Maximum solid-phase Li conc. [kmol/m3]
x_0: 0.39 # Initial intercalation frac. [-]
i0_deg: 1.0 # Degradation factor for i0 [-]
Ds_deg: 1.0 # Degradation factor for Ds [-]
material: NMC532SlowExtrap # Cathode active material class [-]
Nx: 32 # Number of x discretizations [-]
Nr: 30 # Number of r discretizations [-]
thick: 42.0e-6 # Thickness [m]
R_s: 1.8e-6 # Secondary particle radius [m]
eps_s: 0.6 # Solid-phase volume frac. [-]
eps_el: 0.4 # Electrolyte volume frac. [-]
eps_CBD: 0.12338 # Carbon-binder-domain volume frac. [-]
p_sol: 2. # Solids Bruggeman factor (eps**p) [-]
p_liq: 2. # Liquids Bruggeman factor (eps**p) [-]
alpha_a: 0.5 # Anodic charge transfer coeff. [-]
alpha_c: 0.5 # Cathodic charge transfer coeff. [-]
Li_max: 49.6 # Maximum solid-phase Li conc. [kmol/m3]
x_0: 0.39 # Initial intercalation frac. [-]
i0_deg: 1.0 # Degradation factor for i0 [-]
Ds_deg: 1.0 # Degradation factor for Ds [-]
material: NMC532SlowExtrap # Cathode active material class [-]
Loading