Cantera/Kinetic Mechanisms: Difference between revisions
From charlesreid1
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=Theory= | =Theory= | ||
Theory of chemical reactions | |||
What a mechanism consists of | What a mechanism consists of | ||
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Input parameters for rate constant calculation | 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= | =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 | |||
==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 assembled, and what methods | ||
Revision as of 22:18, 16 January 2014
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
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 numerics/rolling your own reactor models