In addition to the gas, surface, and bulk species
sensitivity
coefficients, sensitivity coefficients for the growth (or etch) rates of the
bulk phases with
respect to the reaction rate coefficient parameters may also be computed where applicable. As the growth rates are derived
quantities, the local sensitivity calculation method described in this section is used for
both steady-state and for transient simulations.
First, the linear
growth rate (units of cm/sec) of the bulk phase
can be expressed by:
(17–12) |
The derivative with respect to the parameters is then,
(17–13) |
(17–14) |
The vector, is the vector of raw sensitivity
coefficients computed by solution of Equation 17–8
.
is a matrix representing the derivative of the
bulk species
production rates from surface reaction with respect to the solution variables.
and
are the molecular
weight and mass
density of the k th bulk-phase
species, respectively. The normalized growth rate sensitivity coefficients are computed
as:
(17–15) |
Note that, in general, can be either positive (growth) or negative (etch). Therefore, the absolute
value of
on the right-hand-side of Equation 17–15
is necessary to correctly
normalize the sensitivity coefficients.