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.
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.