Back to Input Deck Cards

Back to CHEMISTRY

OUTPUT (CHEMISTRY)

Specifies output options for biogeochemical transport.

Required Cards

OUTPUT

Opens the OUTPUT block.

Optional Cards:

<string>

Name of species (e.g. primary aqueous, secondary aqueuos, mineral, sorbed complexes, etc.) to be printed in output.

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 in output.

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.

IMMOBILE

All immobile species are printed.

PH

pH is printed (if applicable–i.e. H+ exists).

AGE

Groundwater age is printed.

KD

The KD (ratio of sorbed to aqueous mass) for each primary species is printed.

COLLOIDS

Colloidal concentrations are printed.

TOTAL

Total aqueous component concentration of each species is printed.

TOTAL_SORBED

Total sorbed concentration of each species is printed.

TOTAL_SORBED_MOBILE

Total sorbed concentration on mobile colloids is 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_VOLUME_FRACTION

Outputs volume fractions for all minerals specified in the OUTPUT block.

MINERAL_RATE

Outputs rates for all minerals specified in the OUTPUT block.

MINERAL_SATURATION_INDEX

Outputs saturation indices for all minerals specified in the OUTPUT block (including any equilibrium minerals).

MINERAL_SURFACE_AREA

Outputs mineral specific surface areas for all minerals specified in OUTPUT block.

SITE_DENSITY

Free sorption site density is printed.

PRINT_TOTAL_MASS_KG

Prints total component mass in [kg] for regions specified in the TOTAL_MASS_REGIONS sub-block.

PRINT_VERBOSE_CONSTRAINTS

For each primary species, the secondary aqueous complexes that make up its total component concentration are printed, ordered by descending percent contribution to the total.

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