Cantera/Surface Reactions

More information on how Cantera deals with surface coverage computation here: http://charlesmartinreid.com/wiki/Cantera/Surface_Coverage

This page is more about the computation of the reaction rate source terms for surface reactions.

Gas vs Surface Source Terms

In a gas-surface model, you use an ordinary differential equation to describe the evolution of the gas phase composition and the surface coverages.

This means that ultimately the surface reaction source terms end up on the RHS of ODEs dictating gas and surface composition.

Gas Phase Source Terms from Surface Reactions

A surface reaction can either be a consumption reaction (adsorption of a gas species) or a generation reaction (desorption of a gas species). Summing over all generation and consumption of a gas species for all surface reactions yields the net production term for that species.

The gas phase source terms

Code

Surface phase is connected to gas phase:

g = importPhase('Example.cti', 'gas')
s = importInterface('Example.cti', 'surf', [g])

Production rates are for both gas and surface species:

shape( s.getNetProductionRates() ) == g.nSpecies() + s.nSpecies()

Surface Phase Source Terms from Surface Reactions

The net production term for surface species is...