Cantera/Reaction Rate Source Terms

• Reaction rates are a functon of TPX, thermodynamic state of gas
• phase object wraps an equation of state and wraps kinetic object
• use phase to obtain reaction rates

• Definition of reaction rate
  • for a component: sum over each reaction rate

In a differential, perfectly uniform control volume in which a chemical reaction is the only phenomena occurring, the rate of production of a species i can be defined as the change in moles of species i with time:

$ \frac{d c_i}{dt} = R_i \qquad i = 1 \dots N_{sp} $

where:

• $ c_i $ is molar volume (units of $ \frac{\text{mol}}{\text{m}^3} $)
• $ R_i $ is the volume-specific species rate of production (units of $ \frac{\text{mol}}{\text{m}^3 \text{s}} $)

and the volume-specific rate of production of species i can be further broken down into its contribution from each chemical reaction:

$ R_i = \sum_{j=1}^{N_{rxns}} \nu_{ij} \mathfrak{R}_j $

where:

• $ \nu_{ij} $ - stoichiometric coeff of species i in rxn j
• $ \mathfrak{R}_j $ - volume-specific stoichiometric reaction rate for reaction j