For a 0-D homogeneous system, the molar production of a species per unit volume, , is given by
(18–1) |
where and are the stoichiometric coefficients for the gas and surface reactions, respectively, and and are the rate of progress of the gas-phase reactions and the surface reactions. The contribution to the rate of production of species from gas-phase reaction is therefore
(18–2) |
and for a surface reaction,
(18–3) |
where is the surface area of the material with which the reaction is associated. Further details about how the reactions contribute to net species production rates are found in Gas-phase Chemical Rate Expressions and Surface Chemical Rate Expressions . The reactor model computes normalized values of the reaction contributions to the species production and destruction rates. The normalized production-contributions for gas-phase reactions are given by:
(18–4) |
and the normalized destruction values for the gas-phase reactions is given by:
(18–5) |
The normalized production values for the surface reactions are given by:
(18–6) |
and the normalized destruction values for surface reactions are given by:
(18–7) |
Thus, the normalized contributions to production and destruction sum to one, as follows:
(18–8) |
and
(18–9) |
In transient simulations, when rate-of-production analysis is requested, the above calculations are performed at every time step.