.. 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 <https://cantera.org>_ 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 <https://github.com/Argonne-National-Laboratory/Frhodo/releases>_. Windows x64 systems can use the installer in the link.

Further installation instructions and documentation can be found in the provided Manual <https://github.com/Argonne-National-Laboratory/Frhodo/blob/master/Doc/Manual.pdf>_.

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