Described from: literature
Parameter Set · published 2026-11-02
NMC111|graphite 12.5 Ah pouch cell. Parameterisation by About:Energy Limited (aboutenergy.io), December 2022, based on cell cycling data, and electrode data gathered after cell teardown. Electrolyte properties from Nyman et al. 2008 (doi:10.1016/j.electacta.2008.04.023). Negative electrode entropic coefficient data are from O'Regan et al. 2022 (doi:10.1016/j.electacta.2022.140700). Positive electrode entropic coefficient data are from Viswanathan et al. 2010 (doi:10.1016/j.jpowsour.2009.11.103). Other thermal properties are estimated.
https://w3id.org/battinfo/dataset/rnc6-edv8-m43x-ebnqTaken from the BPX parameter set Parameterisation example of an NMC111|graphite 12.5 Ah pouch cell, written for a DFN model (BPX 0.1.0). Source: github.com/FaradayInstitution/BPX. Curated by Simon Clark.
Parameterisation by About:Energy Limited (December 2022), distributed as an example with the BPX standard (FaradayInstitution/BPX, MIT licence) at commit 9b73d69.
| Parameter | Value | Unit |
|---|---|---|
| Reference temperature | 298.15 | K |
| Lower voltage cut-off | 2.7 | V |
| Upper voltage cut-off | 4.2 | V |
| Nominal cell capacity | 12.5 | Ah |
| Specific heat capacity | 913 | J/(kg·K) |
| Thermal conductivity | 2.04 | W/(m·K) |
| True density | 1847 | kg/m³ |
| Electrode area, one electrode pair | 0.016808 | m² |
| Number of electrode pairs | 34 | |
| External surface area | 0.0379 | m² |
| Cell volume | 1.28 × 10⁻⁴ | m³ |
| Parameter | Negative electrodeGraphite | Positive electrodeNMC111 | Unit |
|---|---|---|---|
| Particle radius | 4.12 × 10⁻⁶fitted | 4.6 × 10⁻⁶fitted | m |
| Solid-phase diffusivity | 2.728 × 10⁻¹⁴fitted | 3.2 × 10⁻¹⁴fitted | m²/s |
| Open-circuit potential | 9.47057878e-01 * exp(-1.59418743e+02 * x) - 3.50928033e+04 + 1.64230269e-01 * tanh(-4.55509094e+01 * (x - 3.24116012e-02 )) + 3.69968491e-02 * tanh(-1.96718868e+01 * (x - 1.68334476e-01)) + 1.91517003e+04 * tanh(3.19648312e+00 * (x - 1.85139824e+00)) + 5.42448511e+04 * tanh(-3.19009848e+00 * (x - 2.01660395e+00))of xfitted | -3.04420906 * x + 10.04892207 - 0.65637536 * tanh(-4.02134095 * (x - 0.80063948)) + 4.24678547 * tanh(12.17805062 * (x - 7.57659337)) - 0.3757068 * tanh(59.33067782 * (x - 0.99784492))of xfitted | |
| Entropic change coefficient | (-0.1112 * x + 0.02914 + 0.3561 * exp(-((x - 0.08309) ** 2) / 0.004616)) / 1000of xfitted | -1 × 10⁻⁴ V/Kfitted | |
| Reaction rate constant | 5.199 × 10⁻⁶fitted | 2.305 × 10⁻⁵fitted | mol·m⁻²·s⁻¹ |
| Minimum stoichiometry | 0.005504fitted | 0.42424fitted | |
| Maximum stoichiometry | 0.75668fitted | 0.9621fitted | |
| Maximum lithium concentration | 29730fitted | 46200fitted | mol/m³ |
| Diffusivity activation energy | 30000fitted | 15000fitted | J/mol |
| Reaction rate constant activation energy | 55000fitted | 35000fitted | J/mol |
| Parameter | Negative electrode | Positive electrode | Unit |
|---|---|---|---|
| Layer thickness | 5.62 × 10⁻⁵fitted | 5.23 × 10⁻⁵fitted | m |
| Electronic conductivity | 0.222fitted | 0.789fitted | S/m |
| Surface area per unit volume | 499522fitted | 432072fitted | m⁻¹ |
| Porosity | 0.25399fitted | 0.27749fitted | |
| Transport efficiency | 0.128fitted | 0.1462fitted |
| Parameter | Value | Unit |
|---|---|---|
| Layer thickness | 2 × 10⁻⁵fitted | m |
| Porosity | 0.47fitted | |
| Transport efficiency | 0.3222fitted |
| Parameter | Value | Unit |
|---|---|---|
| Cation transference number | 0.2594fitted | |
| Ionic conductivity | 0.1297 * (x / 1000) ** 3 - 2.51 * (x / 1000) ** 1.5 + 3.329 * (x / 1000)of xfitted | |
| Electrolyte diffusivity | 8.794e-11 * (x / 1000) ** 2 - 3.972e-10 * (x / 1000) + 4.862e-10of xfitted | |
| Conductivity activation energy | 17100fitted | J/mol |
| Diffusivity activation energy | 17100fitted | J/mol |
| Parameter | Value | Unit |
|---|---|---|
| Initial temperature | 298.15 | K |
| Initial salt concentration | 1000 | mol/m³ |
| Ambient temperature | 298.15 | K |
Values are rounded to five significant figures. Hover a value for the number as stated, or download the file for the full set.
Held in the source file but not in this record: Validation.
PyBaMM 26.10.1.1, DFN, 25 °C. Dotted: measured data from the file.
| Measured discharge | Rate | RMSE | Largest difference | Capacity difference |
|---|---|---|---|---|
| 0.625 A | 0.05C | 16.3 mV | 116 mV | +1.1% |
| 12.5 A | 1C | 56.8 mV | 145 mV | +1.8% |
Loading the profiles through the cell…
# pip install "pybamm[bpx]==26.10.1.1"
import json
import urllib.request
import pybamm
iri = "https://w3id.org/battinfo/dataset/rnc6-edv8-m43x-ebnq"
# ?format=bpx redirects to the BPX file; the file host refuses Python's default User-Agent.
request = urllib.request.Request(iri + "?format=bpx", headers={"User-Agent": "bpx-example"})
params = pybamm.ParameterValues.create_from_bpx_obj(json.loads(urllib.request.urlopen(request).read()))
experiment = pybamm.Experiment(["Discharge at 12.5 A until 2.7 V"])
solution = pybamm.Simulation(pybamm.lithium_ion.DFN(), parameter_values=params, experiment=experiment).solve()
print(solution["Discharge capacity [A.h]"].entries[-1], "A h")| # | Role | Record | Identifier | Type |
|---|---|---|---|---|
| 01 | Parameter set | This record | rnc6-edv8-m43x-ebnq | parameter set |
https://github.com/FaradayInstitution/BPX. Described in Battery Genome as BPX NMC111 pouch, https://w3id.org/battinfo/dataset/rnc6-edv8-m43x-ebnq.
Contributors · Simon Clark