5.11. Chemical Production Rates

Table 5.10: Chemical Production Rates Subroutines

Subroutine

Description

SUBROUTINE SKCONT (KSPEC, ROP, ISKWRK, RSKWRK, CIK)

Returns the contributions of the surface reactions to the molar production rate of species KSPEC.

SUBROUTINE SKDRDA (IR, P, T, ACT, SDEN, ISKWRK, RSKWRK, DKDAI)

Returns the partial of the rates of production of the species with respect to the pre-exponential constant of surface reaction IR.

SUBROUTINE SKDRDC (KSPEC, P, T, ACT, SDEN, ISKWRK, RSKWRK, DKDC)

Returns the partial derivative of the production rates of the species with respect to the concentration of species KSPEC.

SUBROUTINE SKDSDC (P, T, X, ACT, SDEN, ISKWRK, RSKWRK, DSDC, KKTOT, SDOT, SITDOT)

Returns the partial derivative of the production rates of the species with respect to the concentration of each species. It also returns the matching production rates.

SUBROUTINE SKDSDX (P, T, X, ACT, SDEN, ISKWRK, RSKWRK, DSDX, KKTOT, SDOT, SITDOT)

Returns the partial derivative of the production rates of the species with respect to the activity for each species. It also returns the matching production rates.

SUBROUTINE SKRAT (P, T, ACT, SDEN, ISKWRK, RSKWRK, SDOT, SITDOT)

Returns production rates for the species and sites.

SUBROUTINE SKRATI (IR, ROP, ISKWRK, RSKWRK, SDOTI, SITDTI)

Returns rates of production of the species by surface reaction IR.