Described from: literature
Parameter Set · published 2026-11-02
Taken from the BPX parameter set Test case: user-defined 0th-order hysteresis for graphite-Si blend in negative electrode. Compare to nmc_pouch_cell_BPX.json in About:Energy open-source release., written for a DFN model (BPX 0.4.0). Source: github.com/FaradayInstitution/BPX. Curated by Simon Clark.
A test case in the BPX standard's examples (FaradayInstitution/BPX, MIT licence, commit 9b73d69), built from About:Energy Limited's NMC111 pouch cell parameterisation (December 2022).
| 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 electrodeSilicon Graphite | 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 | 0 Vfitted | -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.
The file carries these outside the BPX standard, in its User-defined block. The record keeps them as written and gives them no standard meaning.
| Negative electrode delithiation OCP [V] | 1499-point table |
|---|---|
| Negative electrode lithiation OCP [V] | 1499-point table |
PyBaMM 26.10.1.1, DFN, 25 °C. No measured data in the file.
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/xms6-5z2m-gpsz-nzy9"
# ?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 | xms6-5z2m-gpsz-nzy9 | parameter set |
https://github.com/FaradayInstitution/BPX. Described in Battery Genome as BPX NMC111 pouch hysteresis, https://w3id.org/battinfo/dataset/xms6-5z2m-gpsz-nzy9.
Contributors · Simon Clark