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pflotran-dev / Documentation / QuickGuide / Chemistry / Output

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(CHEMISTRY) OUTPUT Card

Specifies output options for biogeochemical transport.

Required Cards

None.

Optional Cards:

<string>
Name of species (e.g. primary aqueous, secondary aqueuos, mineral, sorbed complexes, etc.) to be printed.
OFF
Geochemical transport output is turned off.
ALL
All primary species, mineral species, sorbed species (i.e. colloids, surface complexes, surface sites...if applicable) and pH (if applicable) are printed.
PRIMARY_SPECIES
All primary species and pH (if applicable) are printed.
SECONDARY_SPECIES
All secondary aqueous complexes are printed.
GASES
Not yet supported.
MINERALS
All minerals are printed.
PH
pH is printed (if applicable--i.e. H+ exists).
KD
The KD (ratio of sorbed to aqueous mass) for each primary species is printed.
COLLOIDS
Colloidal concentrations printed.
TOTAL
Total aqueous component concentration of each species printed.
TOTAL_SORBED
Total sorbed concentration of each species printed.
TOTAL_SORBED_MOBILE
Total sorbed concentration on mobile colloids printed.
FREE_ION
Primary species concentrations are printed as free-ion concentrations. By default, primary species concentrations are printed as total component concentrations.
ACTIVITY_COEFFICIENTS
Activity coefficients are printed for primary species.
MOLARITY
Printed concentration units are in molarity (M).
MOLALITY
Printed concentration units are in molality (m).
MINERAL_SATURATION_INDEX
Outputs saturation indices for all minerals specified in the OUTPUT block (including any equilibrium minerals). If one lists 'ALL', saturation indices for all minerals (including those under the MINERAL block) will be printed.
AGE
Print groundwater age.
SITE_DENSITY
Free sorption site density.
Notes:
  • By default, ALL and MINERALS specify that volume fractions and kinetic rates be printed for all kinetic minerals. To print saturation indices for minerals, including those not listed as kinetic minerals (i.e. mineral names present under MINERAL, but not under MINERAL_KINETICS), simply list the name of each mineral individually.

Examples

CHEMISTRY
  ...
  OUTPUT
    PH
    all
    TOTAL
    Calcite
    CO2(aq)
  /
  ...
END

To print volume fraction and reaction rate for both Calcite and Gibbsite and the saturation index for only Gibbsite:

CHEMISTRY
  ...
  MINERALS
    Quartz
    Calcite
    Gibbsite
  /
  MINERAL_KINETICS
    Calcite
      RATE_CONSTANT 1.d-12
    /
  /
  OUTPUT
    ALL
    TOTAL
    Gibbsite
    MINERAL_SATURATION_INDEX
  /
  ...
END

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