ReactionMechanismSimulator.jl
ReactionMechanismSimulator.jl copied to clipboard
Rate and thermo parameter fitting
When converting experimental data into rate coefficient estimates it's often very important to be able to fit a few parameters to the data. This is often very tricky to do properly for more than one parameter so it would be nice to be able to use JuMP in combination with a global optimizer such as: https://github.com/PSORLab/EAGO.jl.
Any thoughts on parameter optimization? eg. fitting to a set of final reactor effluent values? Perhaps just knowing the first order sensitivities would be enough to wrap this in some other optimizer code?