Cantera/Reaction Rate Source Terms: Difference between revisions
From charlesreid1
(Created page with "* 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 * Defin...") |
No edit summary |
||
| Line 1: | Line 1: | ||
=Notes= | |||
* Reaction rates are a functon of TPX, thermodynamic state of gas | * Reaction rates are a functon of TPX, thermodynamic state of gas | ||
* phase object wraps an equation of state and wraps kinetic object | * phase object wraps an equation of state and wraps kinetic object | ||
| Line 6: | Line 8: | ||
** for a component: sum over each 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 | =Definition of Rates= | ||
==Species Production Rate== | |||
In a differential, perfectly uniform control volume in which a chemical reaction is the only phenomena occurring, the species rate of production (species i) can be defined as the change in moles of i with time: | |||
<math> | <math> | ||
| Line 16: | Line 22: | ||
* <math>R_i</math> is the volume-specific species rate of production (units of <math>\frac{\text{mol}}{\text{m}^3 \text{s}}</math>) | * <math>R_i</math> is the volume-specific species rate of production (units of <math>\frac{\text{mol}}{\text{m}^3 \text{s}}</math>) | ||
==Reaction Production Rate== | |||
A species production rate can be further broken up into its contributions from each reaction. These rates of production are stoichiometric and known as the reaction rates of production: | |||
<math> | <math> | ||
Revision as of 05:52, 14 January 2014
Notes
- 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
Definition of Rates
Species Production Rate
In a differential, perfectly uniform control volume in which a chemical reaction is the only phenomena occurring, the species rate of production (species i) can be defined as the change in moles of 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}} $)
Reaction Production Rate
A species production rate can be further broken up into its contributions from each reaction. These rates of production are stoichiometric and known as the reaction rates of production:
$ 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