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.