Cantera/Kinetic Mechanisms
From charlesreid1
Theory
Theory of chemical reactions
What a mechanism consists of
How the reaction rates are assembled, theoretically
Input parameters for rate constant calculation
Definitions/Quantities
Definitions of quantities involved in chemical reactions
Theoretical information needed (by Cantera) to define reaction mechanisms
Code
Defining a Reaction
End use of the Cantera classes - to define a reaction.
CTI files, XML files
What are the parameters that a reaction requires to work
How to use for rolling your own reactor models
Computing Reaction Rates
End use of the Cantera classes - to obtain reaction rates.
Kinetics class
Where the reaction rates are assembled, and what methods
Where the reaction rates are used
How to use for arbitrary numerical solvers (your own ODE/PDE solvers)