RFBzero

RFBzero: A Python package for zero-dimensional simulation of redox flow battery cycling - Published in JOSS (2024)

https://github.com/ericfell/rfbzero

Science Score: 100.0%

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Published in Journal of Open Source Software

Keywords

batteries battery-models microkinetics python rfbzero simulation

Last synced: 4 months ago · JSON representation ·

Repository

Redox flow battery electrochemical cycling models in Python

Basic Info

Host: GitHub
Owner: ericfell
License: mit
Language: Python
Default Branch: main
Homepage: https://rfbzero.readthedocs.io/en/latest/index.html
Size: 1.5 MB

Statistics

Stars: 6
Watchers: 2
Forks: 2
Open Issues: 3
Releases: 1

Topics

batteries battery-models microkinetics python rfbzero simulation

Created over 2 years ago · Last pushed over 1 year ago

Metadata Files

Readme Contributing License Citation Authors

RFBzero

rfbzero is a Python package for zero dimensional simulation of electrochemical cycling in redox flow batteries (RFBs).

This package includes modules to describe the initial flow cell setup, chemical and electrochemical properties of the redox-active electrolytes being cycled, cell cycling protocol selection, and optional inputs for capacity degradation mechanisms and active species crossover.

Installation

rfbzero can be installed from PyPI using pip.

bash pip install rfbzero

See Getting started with rfbzero.py for instructions on simulating RFBs.

Dependencies

rfbzero.py requires:

Python (>=3.10)
SciPy

Examples and Documentation

Several simulated RFB examples can be found in a notebook in docs/source/examples (requires Jupyter notebook/lab). The documentation can be found at rfbzero.readthedocs.

Package Structure

redox_flow_cell.py: Configures flow cell and electrolyte parameters
experiment.py: Specifies electrochemical cycling protocol
degradation.py: Optional degradation mechanism functions
crossover.py: Optional crossover mechanism

Examples

To simulate a full cell with constant current (CC) cycling:

```python from rfbzero.redoxflowcell import ZeroDModel from rfbzero.experiment import ConstantCurrent

define full cell and electrolyte parameters

cell = ZeroDModel( volumecls=0.005, # liters volumencls=0.010, # liters coxcls=0.01, # molar credcls=0.01, # molar coxncls=0.01, # molar credncls=0.01, # molar ocv50soc=1.0, # volts resistance=0.5, # ohms k0cls=1e-3, # cm/s k0ncls=1e-3, # cm/s )

define cycling protocol

protocol = ConstantCurrent( voltagelimitcharge=1.5, # volts voltagelimitdischarge=0.5, # volts current=0.1, # amps )

simulate cell via protocol for 1000 seconds

results = protocol.run(cell_model=cell, duration=1000) ```

or a symmetric cell with constant current constant voltage (CCCV) cycling, with an electrolyte undergoing a first order chemical degradation in the reduced form:

```python from rfbzero.redoxflowcell import ZeroDModel from rfbzero.degradation import ChemicalDegradationReduced from rfbzero.experiment import ConstantCurrentConstantVoltage

define symmetric cell and electrolyte parameters

cell = ZeroDModel( volumecls=0.005, # liters volumencls=0.010, # liters coxcls=0.01, # molar credcls=0.01, # molar coxncls=0.01, # molar credncls=0.01, # molar ocv50soc=0.0, # volts resistance=0.5, # ohms k0cls=1e-3, # cm/s k0ncls=1e-3, # cm/s )

define cycling protocol

protocol = ConstantCurrentConstantVoltage( voltagelimitcharge=0.2, # volts voltagelimitdischarge=-0.2, # volts currentcutoffcharge=0.005, # amps currentcutoffdischarge=-0.005, # amps current=0.1, # amps )

define first order chemical degradation mechanism

chemdeg = ChemicalDegradationReduced(rateorder=1, rate_constant=1e-5)

simulate cell via protocol for 1000 seconds

results = protocol.run(cellmodel=cell, degradation=chemdeg, duration=1000) ```

📖 Citing RFBzero

If you use RFBzero in your work, please cite our paper

Fell, E. M., Fell, J. A., & Aziz, M. J. (2024). RFBzero: A Python package for zero-dimensional simulation of redox flow battery cycling. Journal of Open Source Software, 9, 6537.

You can use the BibTeX

@article{Fell2024, title = {{RFBzero: A Python package for zero-dimensional simulation of redox flow battery cycling}}, author = {Fell, Eric M. and Fell, Jeremy A. and Aziz, Michael J.}, doi = {10.21105/joss.06537}, journal = {Journal of Open Source Software}, publisher = {The Open Journal}, volume = {9}, number = {98}, pages = {6537}, year = {2024}, url = {https://doi.org/10.21105/joss.06537}, }

License

MIT

Owner

Name: Eric Fell
Login: ericfell
Kind: user

Repositories: 1
Profile: https://github.com/ericfell

JOSS Publication

RFBzero: A Python package for zero-dimensional simulation of redox flow battery cycling

Published

June 25, 2024

DOI

10.21105/joss.06537

Volume 9, Issue 98, Page 6537

Authors

Eric M. Fell

Harvard John A. Paulson School of Engineering and Applied Sciences, 29 Oxford Street, Cambridge, MA, 02138, USA

Jeremy A. Fell

Simon Fraser University, 8888 University Dr W, Burnaby, BC V5A 1S6, Canada

Michael J. Aziz

Harvard John A. Paulson School of Engineering and Applied Sciences, 29 Oxford Street, Cambridge, MA, 02138, USA

Editor

Jeff Gostick

Citation (CITATION.cff)

cff-version: "1.2.0"
authors:
- email: efell@g.harvard.edu
  family-names: Fell
  given-names: Eric M.
  orcid: "https://orcid.org/0000-0003-2046-1480"
- email: jfell@sfu.ca
  family-names: Fell
  given-names: Jeremy A.
  orcid: "https://orcid.org/0009-0001-0968-8564"
- email: maziz@harvard.edu
  family-names: Aziz
  given-names: Michael J.
  orcid: "https://orcid.org/0000-0001-9657-9456"
doi: 10.5281/zenodo.11594955
message: If you use this software, please cite our article in the
  Journal of Open Source Software.
preferred-citation:
  authors:
  - email: efell@g.harvard.edu
    family-names: Fell
    given-names: Eric M.
    orcid: "https://orcid.org/0000-0003-2046-1480"
  - email: jfell@sfu.ca
    family-names: Fell
    given-names: Jeremy A.
    orcid: "https://orcid.org/0009-0001-0968-8564"
  - email: maziz@harvard.edu
    family-names: Aziz
    given-names: Michael J.
    orcid: "https://orcid.org/0000-0001-9657-9456"
  date-published: 2024-06-25
  doi: 10.21105/joss.06537
  issn: 2475-9066
  issue: 98
  journal: Journal of Open Source Software
  publisher:
    name: Open Journals
  start: 6537
  title: "RFBzero: A Python package for zero-dimensional simulation of
    redox flow battery cycling"
  type: article
  url: "https://joss.theoj.org/papers/10.21105/joss.06537"
  volume: 9
title: "RFBzero: A Python package for zero-dimensional simulation of
  redox flow battery cycling"

GitHub Events

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Issues event: 1
Watch event: 3

Last Year

Issues event: 1
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Committers

Last synced: 5 months ago

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Total Commits: 278
Total Committers: 2
Avg Commits per committer: 139.0
Development Distribution Score (DDS): 0.277

Past Year

Commits: 278
Committers: 2
Avg Commits per committer: 139.0
Development Distribution Score (DDS): 0.277

Top Committers

Name	Email	Commits
Eric Fell	e**l@g**u	201
Jeremy Fell	j**l@g**m	77

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Last synced: 4 months ago

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MaximevdHeijden (3)
ericfell (2)
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hjelmj (1)

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ericfell (39)
jeremyfell (20)

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Packages

Total packages: 1
Total downloads:
- pypi 19 last-month

Total dependent packages: 0
Total dependent repositories: 0
Total versions: 3
Total maintainers: 1

pypi.org: rfbzero

A package for zero dimensional simulation of electrochemical cycling in redox flow batteries

Homepage: https://github.com/ericfell/rfbzero
Documentation: https://rfbzero.readthedocs.io/en/latest/index.html#
License: MIT License
Latest release: 1.0.1
published over 1 year ago

Versions: 3
Dependent Packages: 0
Dependent Repositories: 0
Downloads: 19 Last month

Rankings

Dependent packages count: 9.9%

Average: 37.7%

Dependent repos count: 65.5%

Maintainers (1)

ericfell

Last synced: 4 months ago

Dependencies

requirements.txt pypi

sphinx-rtd-theme ==1.2.2

.github/workflows/ci.yml actions

actions/checkout v4 composite
actions/setup-python v4 composite
codecov/codecov-action v4-beta composite

pyproject.toml pypi

requirements-dev.txt pypi

coverage * development
mypy * development
numpy * development
pylint * development
pytest * development
pytest-cov * development
sphinx-rtd-theme ==1.2.2 development

RFBzero

Science Score: 100.0%

Keywords

Repository

Basic Info

Statistics

Topics

Metadata Files

README.md

RFBzero

Installation

Dependencies

Examples and Documentation

Package Structure

Examples

define full cell and electrolyte parameters

define cycling protocol

simulate cell via protocol for 1000 seconds

define symmetric cell and electrolyte parameters

define cycling protocol

define first order chemical degradation mechanism

simulate cell via protocol for 1000 seconds

📖 Citing RFBzero

License

Owner

JOSS Publication

RFBzero: A Python package for zero-dimensional simulation of redox flow battery cycling

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Citation (CITATION.cff)

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