Deriving the reaction rate ODEs of a simple reaction mechanism
Compact Notation Derivation
The below are the reactions that are taken to derive notation
Reaction Mechanism
Let us assaign numbering with a variable index j to the especies so that it would be helpfull in deriving the equations
|
j |
Species |
|
1 |
CO2 |
|
2 |
O2 |
|
3 |
CO2 |
|
4 |
O |
|
5 |
H2O |
|
6 |
OH |
|
7 |
H |
And numbering reaction with an variable index i
Stoichiometric Matric reactants and Products
Here we change reaction to stoichiometric matrices individually for reactants and products where superscript of V with a single quote is reactants matrix and double quote is product matric
Vji is the stoichiometric difference of reactants and products
Reaction rate
Net Reaction rates for 4 reactions where X is the concentration of species per unit volume, Kfi is rate of forward reaction of i the reaction and Kri is rate of reverse reaction of i the reaction
Production Rate
In production rate we ar summing up the prodycts of stoichiometric matrix and net reaction rate
production rate for different species from 1 to 7
The below are the reaction rate ODEs of a above given reaction mechanism
Ordinary Differencial Coupled equations