WIPP_SOURCE_SINK¶

The WIPP Source Sink Process Model is formally documented here.

Specifies the WIPP gas/brine generation process model. This process model is automatically included as an embedded process model within the WIPP_FLOW mode only. If you do not want to include the WIPP_SOURCE_SINK process model, then the block WIPP_SOURCE_SINK should not be included in the input deck.

Required Cards:¶

WIPP_SOURCE_SINK

Opens the WIPP_SOURCE_SINK block. Must have a matching END.

WIPP_SOURCE_SINK
  . . .
END

Keywords¶

Within the WIPP_SOURCE_SINK block, the following keywords are required:

BRUCITES <double> -or- BRUCITEC <double>

Specifies the MgO inundated hydration rate in Salado brine (BRUCITES) or Castile brine (BRUCITEC) with units of [mol-MgO/kg-MgO/s]. Only one of the two need to be specified, not both.

BRUCITES 5.4d-8  ![mol/kg/s]

BRUCITEH <double>

Specifies the MgO humid hydration rate with units of [mol-MgO/kg-MgO/s].

BRUCITEH 2.d-8   ![mol/kg/s]

HYMAGCON <double>

Specifies the hydromagnesite to magnesite conversion rate with units of [mol-hydromagnesite/kg-hydromagnesite/s].

HYMAGCON 3.d-10  ![mol/kg/s]

GRATMICI <double>

Specifies the inundated biodegradation rate in brine with units of [mol-cellulosics/kg-cellulosics/s].

GRATMICI 5.d-9   ![mol/kg/s]

GRATMICH <double>

Specifies the humid biodegradation rate with units of [mol-cellulosics/kg-cellulosics/s].

GRATMICH 6.d-10  ![mol/kg/s]

SAT_WICK <double>

Specifies the unitless wicking saturation parameter.

SAT_WICK 0.50d0  ![-]

SALT_PERCENT <double>

Specifies the weight percent of salt in the brine, according to 100 x [kg-salt/kg-water].

SALT_PERCENT 3.2400d1 ![-]

CORRMCO2 <double>

Specifies the inundated steel corrosion rate with units of [m/s].

CORRMCO2 6.d-15  ![m/s]

HUMCORR <double>

Specifies the humid steel corrosion rate with units of [m/s].

HUMCORR  0.d0    ![m/s]

ASDRUM <double>

Specifies the surface area of corrodable metal per steel drum with units of [m2].

ASDRUM  6.d0     ![m2]

ALPHARXN <double>

Specifies the unitless \(\alpha\) reaction rate smoothing parameter (see BRAGFLO V6.02 User’s Manual Section 14.13.1).

ALPHARXN -1.d3  ![-]

SOCMIN <double>

Specifies the unitless chemistry cutoff liquid saturation parameter.

SOCMIN  1.5d-2   ![-]

BIOGENFC <double>

Specifies the unitless probability parameter of attaining sampled microbial gas generation rates.

BIOGENFC 0.5d0   ![-]

PROBDEG <integer>

Specifies a flag which controls the inclusion of biodegradation-related gas and brine generation rates, with and without plastics and rubbers. PROBDEG = 0 => NO BIODEGRADATION; PROBDEG = 1 => BIODEGRADATION BUT NO PLASTICS AND RUBBERS; PROBDEG = 2 => BIODEGRADATION WITH PLASTICS AND RUBBERS

PROBDEG       2   ![-]

STOICHIOMETRIC_MATRIX

This is a block that gives all of the stoichiometry values for the chemical reactions. It is sized 8x10, for the 8 possible reactions and 10 reactants. The values are obtained from the STCO_## parameters and are ordered in the same way. For example, STCO_38 is located in the 3rd row and 8th column of the STOICHIOMETRIC_MATRIX block.

Currently STCO_22 and STCO_23, the H2 and H2O coefficients for the microbial gas generation reaction, are not used. Instead coefficients SMIC_H2 and SMIC_H2O are calculated internally (based on the initial NITRATE and SULFATE inventory) and used instead.

STOICHIOMETRIC_MATRIX
# hymag  H2     H2O    Fe     Cell   FeOH2  FeS    MgO    MgOH2  MgCO3
  0.0d0  1.0d0 -2.0d0 -1.0d0  0.0d0  1.0d0  0.0d0  0.0d0  0.0d0  0.0d0 # anoxic iron corrosion reaction
  0.0d0  0.0d0  0.0d0  0.0d0 -1.0d0  0.0d0  0.0d0  0.0d0  0.0d0  0.0d0 # microbial gas generation reaction
  0.0d0 -1.0d0  2.0d0  0.0d0  0.0d0 -1.0d0  1.0d0  0.0d0  0.0d0  0.0d0 # iron hydroxide sulfidation
  0.0d0  0.0d0  0.0d0 -1.0d0  0.0d0  0.0d0  1.0d0  0.0d0  0.0d0  0.0d0 # metallic iron sulfidation
  0.0d0  0.0d0 -1.0d0  0.0d0  0.0d0  0.0d0  0.0d0 -1.0d0  1.0d0  0.0d0 # MgO hydration
  0.25d0 0.0d0  0.0d0  0.0d0  0.0d0  0.0d0  0.0d0  0.0d0 -1.25d0 0.0d0 # brucite carbonation
  0.0d0  0.0d0  0.0d0  0.0d0  0.0d0  0.0d0  0.0d0 -1.0d0  0.0d0  1.0d0 # MgO carbonation
 -1.0d0  0.0d0  4.0d0  0.0d0  0.0d0  0.0d0  0.0d0  0.0d0  1.0d0  4.0d0 # hydromagnesite conversion
/

Inventory Sub-blocks¶

INVENTORY <name_string>

Opens the inventory block. This block describes the initial inventory of solids and dissolved species within a waste panel. Many inventory blocks can be given to describe different initial waste panel inventories, and each should have a unique name, indicated with <name_string>. It is also possible to provide a single inventory with an associated volume (VREPOS) that several waste panels share, where the inventory is scaled to each waste panel by volume. Within the inventory block, the following sub-blocks are required:

SOLIDS

Opens the solids sub-block. The solids sub-block must contain the following keywords:

IRONCHW <double> <unit_string>

Specifies the initial mass of Fe-based material in CH waste in the waste panel with units of mass.

IRONCHW   1.09d7 kg

IRONRHW <double> <unit_string>

Specifies the initial mass of Fe-based material in RH waste in the waste panel with units of mass.

IRONRHW   1.35d6 kg

IRNCCHW <double> <unit_string>

Specifies the initial mass of Fe container materials for CH waste in the waste panel with units of mass.

IRNCCHW   3.00d7 kg

IRNCRHW <double> <unit_string>

Specifies the initial mass of Fe container materials for RH waste in the waste panel with units of mass.

IRNCRHW   6.86d6 kg

CELLCHW <double> <unit_string>

Specifies the initial mass of cellulosic material in CH waste in the waste panel with units of mass.

CELLCHW   3.55d6 kg

CELLRHW <double> <unit_string>

Specifies the initial mass of cellulosic material in RH waste in the waste panel with units of mass.

CELLRHW   1.18d5 kg

CELCCHW <double> <unit_string>

Specifies the initial mass of cellulosics in container materials for CH waste in the waste panel with units of mass.

CELCCHW   7.23d5 kg

CELCRHW <double> <unit_string>

Specifies the initial mass of cellulosics in container materials for RH waste in the waste panel with units of mass.

CELCRHW   0.d0 kg

CELECHW <double> <unit_string>

Specifies the initial mass of cellulosics in emplacement materials for CH waste in the waste panel with units of mass.

CELECHW   2.60d5 kg

CELERHW <double> <unit_string>

Specifies the initial mass of cellulosics in emplacement materials for RH waste in the waste panel with units of mass.

CELERHW   0.d0 kg

RUBBCHW <double> <unit_string>

Specifies the initial mass of rubber material in CH waste in the waste panel with units of mass.

RUBBCHW   1.09d6 kg

RUBBRHW <double> <unit_string>

Specifies the initial mass of rubber material in RH waste in the waste panel with units of mass.

RUBBRHW   8.80d4 kg

RUBCCHW <double> <unit_string>

Specifies the initial mass of rubber in container materials for CH waste in the waste panel with units of mass.

RUBCCHW   6.91d4 kg

RUBCRHW <double> <unit_string>

Specifies the initial mass of rubber in container materials for RH waste in the waste panel with units of mass.

RUBCRHW   4.18d3 kg

RUBECHW <double> <unit_string>

Specifies the initial mass of rubber in emplacement materials for CH waste in the waste panel with units of mass.

RUBECHW   0.d0 kg

RUBERHW <double> <unit_string>

Specifies the initial mass of rubber in emplacement materials for RH waste in the waste panel with units of mass.

RUBERHW   0.d0 kg

PLASCHW <double> <unit_string>

Specifies the initial mass of plastic material in CH waste in the waste panel with units of mass.

PLASCHW   5.20d6 kg

PLASRHW <double> <unit_string>

Specifies the initial mass of plastic material in RH waste in the waste panel with units of mass.

PLASRHW   2.93d5 kg

PLSCCHW <double> <unit_string>

Specifies the initial mass of plastic in container materials for CH waste in the waste panel with units of mass.

PLSCCHW   2.47d6 kg

PLSCRHW <double> <unit_string>

Specifies the initial mass of plastic in container materials for RH waste in the waste panel with units of mass.

PLSCRHW   3.01d5 kg

PLSECHW <double> <unit_string>

Specifies the initial mass of plastic in emplacement materials for CH waste in the waste panel with units of mass.

PLSECHW   1.25d6 kg

PLSERHW <double> <unit_string>

Specifies the initial mass of plastic in emplacement materials for RH waste in the waste panel with units of mass.

PLSERHW   0.d0 kg

PLASFAC <double>

Specifies the unitless mass ratio of plastics to equivalent carbon in the waste panel.

PLASFAC   1.7d0

MGO_EF <double>

Specifies the unitless MgO excess factor, which is the ratio of moles of MgO to moles of organic carbon in the waste panel.

MGO_EF    1.2d0

DRMCONC <double>

Specifies the number of steel drums per volume in the waste panel in ideal packing, in units of [drums/m3]. Note, this is equivalent to DRROOM/VROOM.

DRMCONC   1.866d0  ! [drums/m3]

AQUEOUS

Opens the aqueous species sub-block. The species within this sub-block are unrelated to the primary or secondary species in the CHEMISTRY block. The aqueous sub-block must contain the following keywords:

NITRATE <double>

Specifies the initial moles of nitrate in the waste panel. (QINIT[B:32])

NITRATE 2.74d7

SULFATE <double>

Specifies the initial moles of sulfate in the waste panel. (QINIT[B:31])

SULFATE 4.91d6

VREPOS <double> <unit_string>

This is an optional keyword which gives the volume associated with the inventory. If this keyword is given, then several waste panels can be assigned the inventory, but the inventory can be scaled to each waste panel according to the relative volume (volume-waste-panel/VREPOS).

The following is an example of a full INVENTORY block:

INVENTORY inv1
  VREPOS     438400.d0 m^3  ! volume for total repository inventory
  SOLIDS
    IRONCHW  1.09d7 kg   ! mass of Fe-based material in CH waste
    IRONRHW  1.35d6 kg   ! mass of Fe-based material in RH waste
    IRNCCHW  3.00d7 kg   ! mass of Fe containers for CH waste
    IRNCRHW  6.86d6 kg   ! mass of Fe containers for RH waste
    CELLCHW  3.55d6 kg   ! mass of cellulosics in CH waste
    CELLRHW  1.18d5 kg   ! mass of cellulosics in RH waste
    CELCCHW  7.23d5 kg   ! mass of cellulosics in container materials for CH waste
    CELCRHW  0.d0   kg   ! mass of cellulosics in container materials for RH waste
    CELECHW  2.60d5 kg   ! mass of cellulosics in emplacement materials for CH waste
    CELERHW  0.d0   kg   ! mass of cellulosics in emplacement materials for RH waste
    RUBBCHW  1.09d6 kg   ! mass of rubber in CH waste
    RUBBRHW  8.80d4 kg   ! mass of rubber in RH waste
    RUBCCHW  6.91d4 kg   ! mass of rubber in container materials for CH waste
    RUBCRHW  4.18d3 kg   ! mass of rubber in container materials for RH waste
    RUBECHW  0.d0   kg   ! mass of rubber in emplacement materials for CH waste
    RUBERHW  0.d0   kg   ! mass of rubber in emplacement materials for RH waste
    PLASCHW  5.20d6 kg   ! mass of plastics in CH waste
    PLASRHW  2.93d5 kg   ! mass of plastics in RH waste
    PLSCCHW  2.47d6 kg   ! mass of plastics in container materials for CH waste
    PLSCRHW  3.01d5 kg   ! mass of plastics in container materials for RH waste
    PLSECHW  1.25d6 kg   ! mass of plastics in emplacement materials for CH waste
    PLSERHW  0.d0   kg   ! mass of plastics in emplacement materials for RH waste
    PLASFAC  1.7d0       ! mass ratio of plastics to equivalent carbon
    MGO_EF   1.2d0       ! MgO excess factor: ratio mol-MgO/mol-Organic-C
    DRMCONC  1.86d0      ! [-/m3] number of metal drums per m3 in a panel in ideal packing (DRROOM/VROOM)
  /
  AQUEOUS
    NITRATE 2.74d7   ! moles in panel  QINIT[B:32]
    SULFATE 4.91d6   ! moles in panel  QINIT[B:31]
  /
/

Waste Panel Sub-blocks¶

WASTE_PANEL <name_string>

Opens the waste panel block. This block describes a waste panel, indicating the region it is associated with and the inventory it has. Many waste panel blocks can be given, and each should have a unique name, indicated with <name_string>. Within the waste panel block, the following keywords are required:

REGION <name_string>

Specifies the region that is associated with the waste panel. The <name_string> indicates the name of a region that was previously defined.

REGION waste_panel_9

INVENTORY <name_string>

Specifies the inventory that is associated with the waste panel. The <name_string> indicates the name of an inventory that was previously defined within the WIPP_SOURCE_SINK block.

INVENTORY inv1

SCALE_BY_VOLUME <yes/no_string>

This keyword is optional to include. If YES then the waste panel will be given a scaled amount of the inventory indicated by INVENTORY, and the inventory must also have the keyword VREPOS. If NO, or completely omitted, the waste panel will recieve the full, non-scaled inventory.

SCALED_BY_VOLUME yes

The following is an example of a full WASTE_PANEL block:

WASTE_PANEL waste_panel_9
  REGION wp9
  INVENTORY inv1
  SCALE_BY_VOLUME yes
/
WASTE_PANEL waste_panel_5
  REGION wp5
  INVENTORY inv88
  SCALE_BY_VOLUME no
/

Borehole Materials Sub-block¶

BOREHOLE_MATERIALS: Opens the borehole materials block. This block provides a list of material names that are considered borehole materials. Gas generation is turned off in these materials once borehole intrusion takes place.

The following is an example of a BOREHOLE_MATERIALS block:

BOREHOLE_MATERIALS
  BH_OPEN
  BH_SAND
  BH_CREEP
/

Examples¶

WIPP_SOURCE_SINK

  BRUCITES  5.2d-8  ![mol/kg/s] MgO inundated hydration rate in Salado brine
  BRUCITEH  2.d-8   ![mol/kg/s] MgO humid hydration rate
  HYMAGCON  3.d-10  ![mol/kg/s] hydromagnesite to magnesite conversion rate
  SAT_WICK  0.50d0  ![-] wicking saturation parameter
  SALT_PERCENT  3.2400d1  ![100*kg salt/kg water] weight percent salt in brine (rxns produce brine, not just water)
  GRATMICI  5.d-9   ![mol/kg/s] inundated biodegradation rate for cellulose
  GRATMICH  6.d-10  ![mol/kg/s] humid biodegradation rate for cellulose
  CORRMCO2  6.d-15  ![m/s] inundated steel corrosion rate without microbial gas generation
  HUMCORR   0.d0    ![m/s] humid steel corrosion rate
  ASDRUM    6.d0    ![m2] surface area of corrodable metal per drum
  ALPHARXN -1.d3    ![-]
  SOCMIN    1.5d-2  ![-]
  BIOGENFC  0.5d0   ![-]
  PROBDEG   2       !flag for biodegradation inclusion

  STOICHIOMETRIC_MATRIX
  # hymag  H2     H2O    Fe     Cell   FeOH2  FeS    MgO    MgOH2  MgCO3
    0.0d0  1.0d0 -2.0d0 -1.0d0  0.0d0  1.0d0  0.0d0  0.0d0  0.0d0  0.0d0 # anoxic iron corrosion reaction
    0.0d0  0.0d0  0.0d0  0.0d0 -1.0d0  0.0d0  0.0d0  0.0d0  0.0d0  0.0d0 # microbial gas generation reaction
    0.0d0 -1.0d0  2.0d0  0.0d0  0.0d0 -1.0d0  1.0d0  0.0d0  0.0d0  0.0d0 # iron hydroxide sulfidation
    0.0d0  0.0d0  0.0d0 -1.0d0  0.0d0  0.0d0  1.0d0  0.0d0  0.0d0  0.0d0 # metallic iron sulfidation
    0.0d0  0.0d0 -1.0d0  0.0d0  0.0d0  0.0d0  0.0d0 -1.0d0  1.0d0  0.0d0 # MgO hydration
    0.25d0 0.0d0  0.0d0  0.0d0  0.0d0  0.0d0  0.0d0  0.0d0 -1.25d0 0.0d0 # brucite carbonation
    0.0d0  0.0d0  0.0d0  0.0d0  0.0d0  0.0d0  0.0d0 -1.0d0  0.0d0  1.0d0 # MgO carbonation
   -1.0d0  0.0d0  4.0d0  0.0d0  0.0d0  0.0d0  0.0d0  0.0d0  1.0d0  4.0d0 # hydromagnesite conversion
  /

  # note: multiple inventories may be included, but here there is only one
  INVENTORY inv1
    VREPOS     438406.08 m^3 ! optional - only needed if a WASTE_PANEL including this inventory needs to SCALE_BY_VOLUME
    SOLIDS
      IRONCHW  1.09d7 kg   ! mass of Fe-based material in CH waste
      IRONRHW  1.35d6 kg   ! mass of Fe-based material in RH waste
      IRNCCHW  3.00d7 kg   ! mass of Fe containers for CH waste
      IRNCRHW  6.86d6 kg   ! mass of Fe containers for RH waste
      CELLCHW  3.55d6 kg   ! mass of cellulosics in CH waste
      CELLRHW  1.18d5 kg   ! mass of cellulosics in RH waste
      CELCCHW  7.23d5 kg   ! mass of cellulosics in container materials for CH waste
      CELCRHW  0.d0   kg   ! mass of cellulosics in container materials for RH waste
      CELECHW  2.60d5 kg   ! mass of cellulosics in emplacement materials for CH waste
      CELERHW  0.d0   kg   ! mass of cellulosics in emplacement materials for RH waste
      RUBBCHW  1.09d6 kg   ! mass of rubber in CH waste
      RUBBRHW  8.80d4 kg   ! mass of rubber in RH waste
      RUBCCHW  6.91d4 kg   ! mass of rubber in container materials for CH waste
      RUBCRHW  4.18d3 kg   ! mass of rubber in container materials for RH waste
      RUBECHW  0.d0   kg   ! mass of rubber in emplacement materials for CH waste
      RUBERHW  0.d0   kg   ! mass of rubber in emplacement materials for RH waste
      PLASCHW  5.20d6 kg   ! mass of plastics in CH waste
      PLASRHW  2.93d5 kg   ! mass of plastics in RH waste
      PLSCCHW  2.47d6 kg   ! mass of plastics in container materials for CH waste
      PLSCRHW  3.01d5 kg   ! mass of plastics in container materials for RH waste
      PLSECHW  1.25d6 kg   ! mass of plastics in emplacement materials for CH waste
      PLSERHW  0.d0   kg   ! mass of plastics in emplacement materials for RH waste
      PLASFAC  1.7d0       ! [-] mass ratio of plastics to equivalent carbon
      MGO_EF   1.2d0       ! [-] MgO excess factor: ratio mol-MgO/mol-Organic-C
      DRMCONC  1.8669852   ! [-/m3] number of metal drums per m3 in a panel in ideal packing (DRROOM/VROOM = 6804/3644.378))
    /
    AQUEOUS
      NITRATE 2.74d7   ! moles in panel  QINIT[B:32]
      SULFATE 4.91d6   ! moles in panel  QINIT[B:31]
    /
  /

  WASTE_PANEL wp1
    REGION panel1
    INVENTORY inv1
    SCALE_BY_VOLUME yes
  /
  WASTE_PANEL wp2
    REGION panel2
    INVENTORY inv1
    SCALE_BY_VOLUME yes
  /
  WASTE_PANEL wp3
    REGION panel3
    INVENTORY inv1
    SCALE_BY_VOLUME yes
  /
  WASTE_PANEL wp4
    REGION panel4
    INVENTORY inv1
    SCALE_BY_VOLUME yes
  /
  WASTE_PANEL wp5
    REGION panel5
    INVENTORY inv1
    SCALE_BY_VOLUME yes
  /

END_WIPP_SOURCE_SINK

Note the REGION s panel1 through panel5 have been previously defined.