https://github.com/argonne-national-laboratory/frhodo
Simulate experimental data and optimize chemical kinetics mechanisms with this GUI-based application
https://github.com/argonne-national-laboratory/frhodo
Last synced: 8 months ago
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Simulate experimental data and optimize chemical kinetics mechanisms with this GUI-based application
- Host: GitHub
- URL: https://github.com/argonne-national-laboratory/frhodo
- Owner: Argonne-National-Laboratory
- License: other
- Created: 2020-05-12T21:21:39.000Z (over 5 years ago)
- Default Branch: master
- Last Pushed: 2023-11-13T02:40:55.000Z (about 2 years ago)
- Last Synced: 2025-03-25T22:21:44.251Z (9 months ago)
- Language: Python
- Homepage:
- Size: 29.5 MB
- Stars: 32
- Watchers: 4
- Forks: 14
- Open Issues: 4
-
Metadata Files:
- Readme: README.rst
- License: LICENSE.txt
Awesome Lists containing this project
README
.. Frhodo
|Frhodo|
What does Frhodo do?
================
Frhodo is an open-source, GUI-based Python application to simulate
experimental data and optimize chemical kinetics mechanisms using `Cantera `_
as its chemistry solver.
|Screenshot|
Features include:
* Easing user workload through an intuitive and extensive GUI
* Simulating chemical kinetics experiments using:
* 0D closed, homogeneous, constant-volume reactor
* 0D closed, homogeneous, constant-pressure reactor
* Custom incident shock reactor for reactions behind incident shock waves
* Importing Cantera-valid mechanisms (CTML/XML input format is currently not supported)
* Reading an experimental directory to quickly switch between experimental conditions and measured data
* Displaying simulated observable over experimental data
* Altering mechanisms within memory and update simulation automatically
* Investigating non-observable variables of simulation using the Sim Explorer within Frhodo
* Optimizing mechanism based upon obervables (by hand or by machine learning routine)
* Automatic routine requires bounds on reaction rate constants
* Automatic routine can optimize all three Arrhenius parameters
Installation and Documentation
============
The newest release can be found `here `_. Windows x64 systems can use the installer in the link.
Further installation instructions and documentation can be found in the provided `Manual `_.
Frhodo uses an Anaconda
environment and has been tested on Windows, macOS, and Linux.
.. |Frhodo| image:: https://github.com/Argonne-National-Laboratory/Frhodo/blob/assets/Logo.png
:target: https://github.com/Argonne-National-Laboratory/Frhodo/
:alt: Frhodo logo
:width: 325
:align: middle
.. |Screenshot| image:: https://github.com/Argonne-National-Laboratory/Frhodo/blob/assets/Frhodo_screenshot_preview.png
:target: https://github.com/Argonne-National-Laboratory/Frhodo/blob/assets/Frhodo_screenshot.png
:alt: Frhodo Screenshot
:width: 800
:align: middle