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NUCLEAR_WASTE_CHEMISTRY

Defines conditions for a transport simulation using the NUCLEAR_WASTE_TRANSPORT mode. Note: Do not also use the CHEMISTRY card, which is only used for SUBSURFACE_TRANSPORT (reactive transport) mode.

Required Cards:

SPECIES

Opens a SPECIES block. Must have a matching END. There should be one SPECIES block for each transported species in the simulation.

SPECIES
  . . .
END

Keywords

Within the SPECIES block, the following keywords are required:

NAME <string>

Specifies the name of a transported species.

SPECIES
  NAME  AM241L
  . . .
END

SOLUBILITY <double>

Specifies the solubility limit of a transported species in mol/m^3-liq.

SPECIES
  . . .
  SOLUBILITY 1.72615583236094d-05    # [mol/m^3-liq]
  . . .
END

PRECIPITATE_MOLAR_DENSITY <double>

Specifies the precipitated molar density of a transported species in mol/m^3-mineral.

SPECIES
  . . .
  PRECIP_MOLAR_DENSITY 38.61d3 # [mol/m^3-mnrl] (quartz example)
  . . .
END

ELEMENTAL_KD <double>

Specifies the elemental Kd value of a transported species in m^3-water/m^3-bulk.

SPECIES
  . . .
  ELEMENTAL_KD 0.0d0 # [m^3-water/m^3-bulk]
  . . .
END

An example of a full SPECIES block:

SPECIES
  NAME                      TH230L
  SOLUBILITY                1.10410404254448d-06   # [mol/m^3-liq]
  PRECIPITATE_MOLAR_DENSITY 38.61d3                # [mol/m^3-mnrl] (quartz example)
  ELEMENTAL_KD              0.0d0                  # [m^3-water/m^3-bulk]
/

Optional Cards:

RADIOACTIVE_DECAY

Opens a RADIOACTIVE_DECAY block. Must have a matching END. There should only be one RADIOACTIVE_DECAY block. This block lists all radioactive species and their daughter decay products. If there are no radioactive species, this block can be omitted.

 RADIOACTIVE_DECAY
   . . .
 END

Keywords
~~~~~~~~

Within the RADIOACTIVE_DECAY block, **the following keywords are required:**

<double> <string> -> <string>
  Indicates the decay rate of a radioactive transported species, and its daughter
  product, if there is one. This line should be repeated for each radioactive
  species. If a daughter product does not exist, do not indicate ``->``. If a
  daughter product does exist, but is not radioactive, that daughter must also be
  included in this block and assigned a decay rate of 0. The decay rate unit is
  1/second. Each species listed here must also be assigned its own SPECIES block.

Examples:

 ::

   RADIOACTIVE_DECAY
   # [1/sec]
     5.081724d-11  AM241L
     9.127564d-13  PU239L
     2.503240d-10  PU238L -> U234L
     8.983245d-14  U234L -> TH230L
     2.852458d-13  TH230L
   /

 ::

   RADIOACTIVE_DECAY
   # [1/sec]
     5.081724d-11  AM241L
     9.127564d-13  PU239L
     2.503240d-10  PU238L -> U234L
     8.983245d-14  U234L -> daugh
     0.0d0         daugh
   /

OUTPUT

Opens an OUTPUT block. Must have a matching END. This block indicates what output is desired. One may specify the following options within the OUTPUT block: ALL_SPECIES, ALL_CONCENTRATIONS, TOTAL_BULK_CONCENTRATION, AQUEOUS_CONCENTRATION, MINERAL_CONCENTRATION, SORBED_CONCENTRATION, and MINERAL_VOLUME_FRACTION.

The keyword ALL_CONCENTRATIONS will print all of the concentration output, e.g., it is the same as including: TOTAL_BULK_CONCENTRATION, AQUEOUS_CONCENTRATION, MINERAL_CONCENTRATION, and SORBED_CONCENTRATION.

By default, all output is suppressed, unless the OUTPUT block is included. Currently, ALL_SPECIES is implied.

Examples:

OUTPUT
  ALL_SPECIES
  ALL_CONCENTRATIONS
  MINERAL_VOLUME_FRACTION
/

OUTPUT
  ALL_SPECIES
  AQUEOUS_CONCENTRATION
  TOTAL_BULK_CONCENTRATION
/

Examples

NUCLEAR_WASTE_CHEMISTRY

  SPECIES
    NAME                      AM241L
    SOLUBILITY                3.08531847680638d-03    # [mol/m^3-liq]
    PRECIPITATE_MOLAR_DENSITY 38.61d3                 # [mol/m^3-mnrl] (quartz example)
    ELEMENTAL_KD              0.0d0                   # [m^3-water/m^3-bulk]
  /

  SPECIES
    NAME                      PU239L
    SOLUBILITY                5.94620667361208d-03   # [mol/m^3-liq]
    PRECIPITATE_MOLAR_DENSITY 38.61d3                # [mol/m^3-mnrl] (quartz example)
    ELEMENTAL_KD              0.0d0                  # [m^3-water/m^3-bulk]
  /

  SPECIES
    NAME                      PU238L
    SOLUBILITY                1.72615583236094d-05    # [mol/m^3-liq]
    PRECIPITATE_MOLAR_DENSITY 38.61d3                 # [mol/m^3-mnrl] (quartz example)
    ELEMENTAL_KD              0.0d0                   # [m^3-water/m^3-bulk]
  /

  SPECIES
    NAME                      U234L
    SOLUBILITY                3.92771529575587d-04   # [mol/m^3-liq]
    PRECIPITATE_MOLAR_DENSITY 38.61d3                # [mol/m^3-mnrl] (quartz example)
    ELEMENTAL_KD              0.0d0                  # [m^3-water/m^3-bulk]
  /

  SPECIES
    NAME                      TH230L
    SOLUBILITY                1.10410404254448d-06   # [mol/m^3-liq]
    PRECIPITATE_MOLAR_DENSITY 38.61d3                # [mol/m^3-mnrl] (quartz example)
    ELEMENTAL_KD              0.0d0                  # [m^3-water/m^3-bulk]
  /

  RADIOACTIVE_DECAY
  # [1/sec]
    5.081724d-11  AM241L
    9.127564d-13  PU239L
    2.503240d-10  PU238L -> U234L
    8.983245d-14  U234L -> TH230L
    2.852458d-13  TH230L
  /

  OUTPUT
    ALL_SPECIES
    ALL_CONCENTRATIONS
    MINERAL_VOLUME_FRACTION
  /

END