Defining species for Pitzer parameter

[Abalo]

Hello All,
I am trying to create a database with Pitzer parameters.
When I run the script I get the following error:
"ERROR: Species for Pitzer parameter not defined in SOLUTION_SPECIES, CO3--"
The "CO3--" is defined in my script. So, I am not sure how to solve this issue.
Here is my script:

Code: [Select]

SOLUTION_MASTER_SPECIES
    #Acetate  Acetate-       0.0     C2H3O2        59.
    H             H+              -1     H               1.008
    H(0)          H2               0     H             
    H(1)          H+              -1     0             
    E             e-               0     0               1.008
    O             H2O              0     O               16
    O(0)          O2               0     O             
    O(-2)         H2O              0     0 
   #Oxg           Oxg              0     Oxg             32   
    Cl            Cl-              0     Cl              35.4527
    Cl(-1)   Cl-    0 Cl
    Cl(7)   ClO4-    0 Cl     
    C             HCO3-            1     HCO3            12.0110
    C(+4)         HCO3-            1     HCO3
    S           SO4--            0     SO4             32.066
    S(+6)   SO4--            0     SO4

SOLUTION_SPECIES
H+ = H+
    log_k     0
    -gamma    9 0

e- = e-
    log_k     0

H2O = H2O
    log_k     0

HCO3- = HCO3-
    log_k     0

Cl- = Cl-
    log_k     0

SO4-- = SO4--
    log_k     0

H2O = H2 + 0.5 O2
    #log_k   44.6575

2H2O = O2 + 4H+ + 4e-
    log_k     -86.08
    delta_h   134.79 kcal

Cl- + 2.00 O2 =  1.00 ClO4-
    #log_k = 21.5057

HCO3- = CO3-- + H+
    log_k    10.3392

SO4-- + H+ = HSO4-
log_k    1.979

PITZER
-B0
H+    HCO3-    0.0296        0           0           0.996E-3
H+    CO3--    0.0296        0           0           0.996E-3
#H+    SO4--    0.0296        0           0           0.996E-3
#H+    HSO4-    0.0296        0           0           0.996E-3
END
Thanks

[dlparkhurst]

The reader for Pitzer parameters is not too smart. You will need to use the form "CO3-2", and in general,  -n or +n, if n is greater or equal to 2.

[Abalo]

That solves the issue, but I get this warning:
"WARNING: Redefinition of parameter, H+ CO3-2".
Is this something to worry about?
Thanks very much.

[dlparkhurst]

You are defining the same Pitzer parameter twice. If you are using a database plus these definitions, the other definition may be in the database. The last definition encountered (input file after database) will be used. Note that all definitions in the database that are not redefined will be included in the calculation.

[Abalo]

Thanks for the explanation.