Cantera/Kinetic Mechanisms

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)