   1  Transport coupled with microbiological and chemical reactions, 1D
 1 0 0 0 1
C ******* DATA SET 2: BASIC INTEGER PARAMETERS
 1 101 100 1 0 750   1 4 -1 1 0   0 0 40 1 50   0 0 0 1 11   1 1 1
C ******* DATA SET 3: BASIC REAL PARAMETERS
 0.1 0.0D0 0.1 75 0.0D0   1.0D0 1.0D0 1.0D00 1.0D-6 1.0D0
C ******* DATA SET 4: PRINT AND AUXILIARY STORAGE CONTROL
40000000004000000000400000000040000000004000000000400000000040000000004000000000
40000000004000000000400000000040000000004000000000400000000040000000004000000000
40000000004000000000400000000040000000004000000000400000000040000000004000000000
40000000004000000000400000000040000000004000000000400000000040000000004000000000
40000000004000000000400000000040000000004000000000400000000040000000004000000000
40000000004000000000400000000040000000004000000000400000000040000000004000000000
40000000004000000000400000000040000000004000000000400000000040000000004000000000
40000000004000000000400000000040000000004000000000400000000040000000004000000000
40000000004000000000400000000040000000004000000000400000000040000000004000000000
4000000000400000000040000000004
10000000001000000000100000000010000000001000000000100000000010000000001000000000
10000000001000000000100000000010000000001000000000100000000010000000001000000000
10000000001000000000100000000010000000001000000000100000000010000000001000000000
10000000001000000000100000000010000000001000000000100000000010000000001000000000
10000000001000000000100000000010000000001000000000100000000010000000001000000000
10000000001000000000100000000010000000001000000000100000000010000000001000000000
10000000001000000000100000000010000000001000000000100000000010000000001000000000
10000000001000000000100000000010000000001000000000100000000010000000001000000000
10000000001000000000100000000010000000001000000000100000000010000000001000000000
1000000000100000000010000000001
1.0D38
C ******* DATA SET 5: CHEMICAL OUTPUT AND CHEMICAL PROPERTY TYPE INDICATOR
 2
 1  101 NODEP
C ******* DATA SET 6: MATERIAL PROPERTIES
 0.5D-0 0.0D0 0.0D0 1.5D0 AL AT AM RHOB
C ******* DATA SET 6a: thermal transport control parameters
 0
C ******* DATA SET 7: NODE COORDINATES
    1   100    1      0.0D0   1.0D0  0.0
    0    0     0      0.0     0.0    0.0           END OF X-COORD
C ******* DATA SET 8: ELEMENT CONNECTIVITY
C ******* DATA SET 10: CHEMICAL COMPONENT INFORMATION
 7 0 0 2 0 0 0 1   NOhA NOhS NOKX KY KZ KP mb ma
 H+
  1   1
 H2CO3*
  2   1
 NH4+
  3   1
 O2
  4   1
 NTA3-
  5   1
 Co 2+
  6   1
 Buffer
  7   1
C ******* DATA SET 11:  INITIAL CONDITIONS (MASS/MEDIA VOLUME)
    1   100   1    3.3548d-7 0.0D0     0.0D0
    0    0    0    0.0       0.0       0.0          END OF I.C. H+ - variable PH
    1   100   1    1.96d-7   0.0D0     0.0D0
    0    0    0    0.0       0.0       0.0          END OF I.C. H2CO3(g)
    1   100   1    0.00d-14  0.0D0     0.0D0
    0    0    0    0.0       0.0       0.0          END OF I.C. NH4+
    1   100   1    1.25d-5   0.0D0     0.0D0
    0    0    0    0.0       0.0       0.0          END OF I.C. O2
    1   100   1    0.00d-14  0.0D0     0.0D0
    0    0    0    0.0       0.0       0.0          END OF I.C. NTA3-
    1   100   1    0.00d-14  0.0D0     0.0D0
    0    0    0    0.0       0.0       0.0          END OF I.C. Co2+
    1   100   1    0.00d-4   0.0D0     0.0D0
    0    0    0    0.0       0.0       0.0          END OF I.C. Buffer
    1   100   1    0.00d-20  0.0D0     0.0D0
    0    0    0    0.0       0.0       0.0          END OF I.C. CoNTA(ads) = Ky1
    1   100   1    0.00d-20  0.0D0     0.0D0
    0    0    0    0.0       0.0       0.0          END OF I.C. Co(ads) = Ky2
    1   100   1    5.44d-5   0.0D0     0.0D0
    0    0    0    0.0       0.0       0.0          END OF I.C. Cells
C ******* DATA SET 12: CONTROL INTEGERS FOR TRANSIENT SOURCE/SINK AND B.C.
    0  0  0    0  0  0    0  0  0    2    2    2    4
C ******* DATA SET 14: VARIABLE BOUNDARY CONDITIONS (MASS/LIQUID VOLUME)
  0.0D0 1.276075D-6 20.0D0 1.276075D-6 20.01D0  8.387D-7 75.0D0  8.387D-7
  0.0D0 0.00D0      20.0D0 0.00D0      20.01D0  0.00D0   75.0D0  0.00D0
    1    1    1    1    1
    0    0    0    0    0                         END OF B.C. H+
  0.0D0   4.90D-7  20.0D0   4.90D-7  20.01D0  4.90D-7  75.0D0  4.90D-7
  0.0D0   0.00D0   20.0D0   0.00D0   20.01D0  0.00D0   75.0D0  0.00D0
    1    1    1    1    1
    0    0    0    0    0                         END OF B.C. H2CO3(g)
  0.0D0   0.00D0    20.0D0   0.00D0    20.01D0  0.00D0    75.0D0  0.00D0
  0.0D0   0.00D0    20.0D0   0.00D0    20.01D0  0.00D0    75.0D0  0.00D0
    1    1    1    1    1
    0    0    0    0    0                         END OF B.C. NH4+
  0.0D0   3.125D-5  20.0D0  3.125D-5  20.01D0  3.125D-5 75.0D0  3.125D-5
  0.0D0   0.00D0    20.0D0   0.00D0   20.01D0  0.00D0   75.0D0  0.00D0
    1    1    1    1    1
    0    0    0    0    0                         END OF B.C. O2
  0.0D0   5.23D-6  20.0D0   5.23D-6  20.01D0  0.00D0   75.0D0  0.00D0
  0.0D0   0.00D0   20.0D0   0.00D0   20.01D0  0.00D0   75.0D0  0.00D0
    1    1    1    1    1
    0    0    0    0    0                         END OF B.C. NTA3-
  0.0D0   5.23D-6  20.0D0   5.23D-6  20.01D0  0.00D0   75.0D0  0.00D0
  0.0D0   0.00D0   20.0D0   0.00D0   20.01D0  0.00D0   75.0D0  0.00D0
    1    1    1    1    1
    0    0    0    0    0                         END OF B.C. Co2+
  0.0D0   0.00D0   20.0D0   0.00D0   20.01D0  0.00D0   75.0D0  0.00D0
  0.0D0   0.00D0   20.0D0   0.00D0   20.01D0  0.00D0   75.0D0  0.00D0
    1    1    1    1    1
    0    0    0    0    0                         END OF B.C. Buffer
  1  100
C ******* DATA SET 16: HYDROLOGICAL VARIABLES
    1   100   1     4.0    0.0
    0    0    0     0.0    0.0      END OF VELOCITY
    1   99    1     0.4    0.0
    0    0    0     0.0    0.0             END OF TH
    1   100   1     1.0    0.0    0.0
    0    0    0     0.0    0.0    0.0             END OF RHOL
C ******* DATA SET 17: NUMBER OF COMPONENTS AND PRODUCT SPECIES
7 0 14 2 0 0                         NONA NONS NOMX NOMY NOMZ NOMP
C ******* DATA SET 18: H+, E-, IONIC STRENGTH correction INFORMATION
 0.0 0 1 0 0   SICOR ICOR LNH LNG LNE
c ******* DATA SET 19:  temperature, pressure and expected pe and pH
 298.3 1.0   TEMP PRESSU
 -20.0 20.0 -20.0 20.0   PEMN PEMX PHMN PHMX
c ******* DATA SET 22: Basic real and integer parameters
  1.0 1 1000 1.0d-6 1.0d00 1.0d00 1 omegac npcyl niterc epsc cnstrx cnstry ipiv
c ******* DATA SET 23: Component name and component species types
 H+
  1 0
 H2CO3*
  1 0
 NH4+
  1 0
 O2
  1 0
 NTA-
  1 0
 Co 2+
  1 0
 Buffer
  1 0
C ******* DATA SET 24: COMPONENT SPECIES AND THEIR ION-EXCHANGE INDEX
H+
  0  1 0  iscn VJ IONEX
H2CO3*
  0  0 0  iscn VJ IONEX
NH4+
  0  1 0  iscn VJ IONEX
O2
  0  0 0  iscn VJ IONEX
NTA3-
  0 -3 0  iscn VJ IONEX
Co2+
  0  2 0  iscn VJ IONEX
Buffer
  0 -1 0  iscn VJ IONEX
C ******** DATA SET 25:  COMPLEXED SPECIES
H3NTA
0    3  0  0  0  1  0  0   0   3  0  0  0  1  0  0
H2NTA-
0    2  0  0  0  1  0  0   0   2  0  0  0  1  0  0
HNTA2-
0    1  0  0  0  1  0  0   0   1  0  0  0  1  0  0
CoNTA-
0    0  0  0  0  1  1  0   0   0  0  0  0  1  1  0
CoNTA2 4-
0    0  0  0  0  2  1  0   0   0  0  0  0  2  1  0
CoOHNTA 2-
0   -1  0  0  0  1  1  0   0  -1  0  0  0  1  1  0
CoOH+
0   -1  0  0  0  0  1  0   0  -1  0  0  0  0  1  0
Co(OH)2
0   -2  0  0  0  0  1  0   0  -2  0  0  0  0  1  0
Co(OH)3-
0   -3  0  0  0  0  1  0   0  -3  0  0  0  0  1  0
HCO3-
0   -1  1  0  0  0  0  0   0  -1  1  0  0  0  0  0
CO3 2-
0   -2  1  0  0  0  0  0   0  -2  1  0  0  0  0  0
NH3
0   -1  0  1  0  0  0  0   0  -1  0  1  0  0  0  0
OH-
0   -1  0  0  0  0  0  0   0  -1  0  0  0  0  0  0
HBuffer
0    1  0  0  0  0  0  1   0   1  0  0  0  0  0  1
C ******** DATA SET 26:  ADSORBED SPECIES
CoNTA(ads)
0    0  0  0  0  1  1  0       0  0  0  0  1  1  0
Co(ads)
0    0  0  0  0  0  1  0       0  0  0  0  0  1  0
C ******** DATA SET 28:  MICROBIAL SPECIES
C5H7O2N(cells)
  0  -2.681936665037 0
C ******** DATA SET 29:  reaction data
17
2 1 0    NRTS NPDS KRTYP           REACTION 1 - H3NTA
14.9     LOGKEQ
3  1  1
1  5  8
2 1 0    NRTS NPDS KRTYP           REACTION 2 - H2NTA
13.3     LOGKEQ
2  1  1
1  5  9
2 1 0    NRTS NPDS KRTYP           REACTION 3 - HNTA
10.3     LOGKEQ
1  1  1
1  5  10
2 1 0    NRTS NPDS KRTYP           REACTION 4 - CoNTA
11.7     LOGKEQ
1  1  1
5  6  11
2 1 0    NRTS NPDS KRTYP           REACTION 5 - CoNTA2
14.5     LOGKEQ
2  1  1
5  6  12
3 1 0    NRTS NPDS KRTYP           REACTION 6 - CoOHNTA
0.5     LOGKEQ
-1  1  1  1
1   5  6  13
2 1 0    NRTS NPDS KRTYP           REACTION 7 - CoOH
-9.7     LOGKEQ
 -1  1  1
 1  6  14
2 1 0    NRTS NPDS KRTYP           REACTION 8 - CoOH2
-22.9     LOGKEQ
 -2  1  1
 1  6  15
2 1 0    NRTS NPDS KRTYP           REACTION 9 - CoOH3
-31.5     LOGKEQ
 -3  1  1
 1  6  16
2 1 0    NRTS NPDS KRTYP           REACTION 10 - HCO3
-6.35     LOGKEQ
 -1  1  1
 1  2  17
2 1 0    NRTS NPDS KRTYP           REACTION 11 - CO3
-16.68    LOGKEQ
 -2  1  1
 1  2  18
2 1 0    NRTS NPDS KRTYP           REACTION 12 - NH3
-9.3      LOGKEQ
 -1  1  1
 1  3  19
1 1 0    NRTS NPDS KRTYP           REACTION 13 - OH
-14.0      LOGKEQ
 -1  1
 1   20
2 1 0    NRTS NPDS KRTYP           REACTION 14 - HBuffer
6.0      LOGKEQ
 1  1  1
 1  7  21
1 1 1           NRTS NPDS KRTYP    REACTION 15 - CoNTA (ads)
-0.30075847675 -0.574031267728  LOGKB  LOGKF
 1    1
 11   22
1 1 1           NRTS NPDS KRTYP    REACTION 16 - Co(ads)
-1.279039227   -0.574031267728  LOGKB  LOGKF
 1    1
 6   23
3 3 2           NRTS NPDS KRTYP    REACTION 17 - Microbial rxn
0.0916519  7.64D-7 6.25D-6 0.0 1 2 0 0.0 0.0 grmax ks ks kn locs loca locn taul taue
1  1.620  2.424    17.370666  3.120  0.424
10 4      1        24         2      3
0 0 0 0 0             inhib hscinh hscinh p q
                                 END OF JOB
