5.4. Information about Species

Table 5.3: Information about Species Subroutines

Subroutine

Description

SUBROUTINE SKATCZ (P, T, ACT, SDEN, ISKWRK, RSKWRK, CZ)

Returns the concentrations of the species, given the pressure, temperature and activities.

SUBROUTINE SKCHRG (ISKWRK, RSKWRK, KCHARG)

Returns an array containing electronic charges of the species.

SUBROUTINE SKCOV (ISKWRK, KOCC)

Returns an array of site occupancy numbers for the species.

SUBROUTINE SKCZTA (T, CZ, SDEN, ISKWRK, RSKWRK, ACT)

Returns the activities of the species, given the pressure, temperature and concentrations.

SUBROUTINE SKDEN (P, T, ACT, SDEN, ISKWRK, RSKWRK, DEN)

Returns a real array of species densities.

SUBROUTINE SKKTFL (ISKWRK, KTFL)

Allows the user to assign a location in the temperature array to use for the gas-phase species.

SUBROUTINE SKNCF (NELDIM, ISKWRK, NEL)

Returns the elemental composition of the species.

SUBROUTINE SKSYMS (ISKWRK, CSKWRK, LOUT, KNAM, KERR)

Returns a character array of species names.

SUBROUTINE SKWT (ISKWRK, RSKWRK, WT)

Returns the molecular weights of the species.