SKCZTA SKCZTA SKCZTA SKCZTA SKCZTA SKCZTA SKCZTA
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SUBROUTINE SKCZTA (T, CZ, SDEN, ISKWRK, RSKWRK, ACT)
Returns the activities of the species, given the pressure,
temperature and concentrations.
INPUT
T(*) - Real array, temperature(s); dimension is determined by
the application program to be the total number of
species temperatures, nominally 1.
cgs units, K
CZ(*) - Real array, gas-phase and surface species concentrations,
and bulk species activities;
dimension at least KKTOT, the total species count.
The first KKGAS gas-phase concentrations are moles/cm**3,
the next KKSURF site concentrations are moles/cm**2, and
the final KKBULK entries are bulk species activities.
SDEN(*) - Real array, site densities for the site types;
dimension at least NPHASE, the total phase count,
but the subroutine only uses site phase entries,
NFSURF <= N <= NLSURF.
cgs units, moles/cm**2.
ISKWRK(*) - Integer workspace array; dimension at least LENISK.
RSKWRK(*) - Real workspace array; dimension at least LENRSK.
OUTPUT
ACT(*) - Real array, activities of the species;
dimension at least KKTOT, the total species count.
The first KKGAS activities are mole fractions,
the next KKSURF activities are site fractions
(species density normalized by the site density;
surface concentration in moles/cm**2 is
ACT(K)*SITE_DENSITY / # sites per species), and
the next KKBULK activities for bulk phase species
should be from 0 to 1, and should sum to 1 for each
phase.