A package for ingesting models from the Master Chemical Mechanism and producing Coupled ODEs to simulate gas phase chemical kinetics.
- Define config parameters
- Parse mechanism file
- Generate R.H.S. reaction rate functions
- Construct model via
Catalyst.jl - Convert to coupled ODEs and structural simplify
- Simulate
- Analyze Results
- Combine with data to perform Data Assimilation, i.e. fitting the model to real data.
- We should usse
Unitful.jlto enable easy unit tracking + conversion for our simulation - We should use
ParameterHandling.jlto easily handle dictionaries of parameters in our simulations. - We should use
Catalyst.jlto represent the model symbolically