Custom solid phase dissolution rxn errors

[ReaganK]

Hello I probably have the same issue with SiO4 (aq) / H4SiO4 as @kennedyantwi1 but this time for a dissolution reaction of a PHASE.

I am using the phreedc.dat database. I have tried various alterations of the equation with SiO4, SiO4(aq), H2SiO4, tried exchanging RHS with LHS, tried removing the phase name from the equation (thinking the problem could be that since the phase is already declaired in "phase name", I do not need repeating it, tried many other funny things. But nothing is working. Kindly have a look and see what I am getting wrong. The first lines are the many equation alterations that represent the dissolution reaction and below is the error I get.


basalt_glass  +  1.322 H2O  +  2.564 H+  = 1 SiO2(aq)  + 0.08 Na+  + 0.008 K+  + 0.18 Fe+2 + 0.35 Al+3    + 0.26 Mg+2 + 0.27 Ca+2  + 0.003 Mn+2
--> ERROR: Parsing error in get_elts_in_species, unexpected character, b.


basalt_glass  +  1.322 H2O  +  2.564 H+  = 1 SiO2 + 0.08 Na+  + 0.008 K+  + 0.18 Fe+2 + 0.35 Al+3    + 0.26 Mg+2 + 0.27 Ca+2  + 0.003 Mn+2
--> ERROR: Parsing error in get_elts_in_species, unexpected character, b.


basalt_glass  +   2.718H2O  +   1.436H+  = 1 H4SiO4  + 0.08 Na+  + 0.008 K+  + 0.18 Fe+2 + 0.35 Al+3    + 0.26 Mg+2 + 0.27 Ca+2  + 0.003 Mn+2
--> ERROR: Parsing error in get_elts_in_species, unexpected character, b.


1.322 H2O  +  2.564 H+  = 1 SiO2(aq)  + 0.08 Na+  + 0.008 K+  + 0.18 Fe+2 + 0.35 Al+3    + 0.26 Mg+2 + 0.27 Ca+2  + 0.003 Mn+2
--> ERROR: Coefficient of first species on rhs is not equals to 1


1 SiO2(aq)  + 0.08 Na+  + 0.008 K+  + 0.18 Fe+2 + 0.35 Al+3    + 0.26 Mg+2 + 0.27 Ca+2  + 0.003 Mn+2 = basalt_glass + 1.322 H2O  +  2.564 H+
--> ERROR: Parsing error in get_elts_in_species, unexpected character, a.


1 H4SiO4  + 0.08 Na+  + 0.008 K+  + 0.18 Fe+2 + 0.35 Al+3    + 0.26 Mg+2 + 0.27 Ca+2  + 0.003 Mn+2 = basalt_glass  +   2.718H2O  +   1.436H+
--> ERROR: Parsing error in get_elts_in_species, unexpected character, b.


1 H4SiO4  + 0.08 Na+  + 0.008 K+  + 0.18 Fe+2 + 0.35 Al+3    + 0.26 Mg+2 + 0.27 Ca+2  + 0.003 Mn+2 = 2.718H2O  +   1.436H+
--> ERROR, Equation does not balance for element, ?.. #(ALL ELEMENTS), RIGHT << LEFT


1 SiO2(aq)  + 0.08 Na+  + 0.008 K+  + 0.18 Fe+2 + 0.35 Al+3    + 0.26 Mg+2 + 0.27 Ca+2  + 0.003 Mn+2 =  1.322 H2O  +  2.564 H+
--> ERROR: Parsing error in get_elts_in_species, unexpected character, a.


SiO2  + 0.08 Na+  + 0.008 K+  + 0.18 Fe+2 + 0.35 Al+3    + 0.26 Mg+2 + 0.27 Ca+2  + 0.003 Mn+2 =  basaltic_glass + 1.322 H2O  +  2.564 H+
--> ERROR: Parsing error in get_elts_in_species, unexpected character, b.
Now here I thought there is probably a problem with the way I am writing basalt_glass, and so I checked all y equations with "basaltglass" did not work.


SiO2  + 0.08 Na+  + 0.008 K+  + 0.18 Fe+2 + 0.35 Al+3    + 0.26 Mg+2 + 0.27 Ca+2  + 0.003 Mn+2 =  1.322 H2O  +  2.564 H+
--> ERROR, Equation does not balance for element, ?.. #(ALL ELEMENTS), RIGHT >> LEFT


SiO2 + 0.04Na2O + 0.004K2O + 0.18FeO + 0.175Al2O3 + 0.26MgO + 0.27CaO + 0.003MnO +  2.564H+ = SiO2 + 0.35Al+3 + 0.27Ca+2 + 0.18Fe+2 + 0.008K+ + 0.26Mg+2 + 0.003Mn+2 + 0.08Na+ + 1.282H2O

Surprisingly this above is accepted as a phase, but when I run the model I get the errors below.
--> WARNING: Moles of Mineral < 0, reset to 0.
--> Element in species have not been tabulated. Al2O3.
--> Element in species have not been defined. Al2O3.
--> # same for all elements

[ReaganK]

This too was tried (to try to see if the problem was that the phase does not need to be declared in the equation if already declared in the name).
PS, I am using the GUI of phreeqc.

2.718H2O  +   1.436H+  = 1 H4SiO4  + 0.08 Na+  + 0.008 K+  + 0.18 Fe+2 + 0.35 Al+3    + 0.26 Mg+2 + 0.27 Ca+2  + 0.003 Mn+2
--> ERROR: Coefficient of first species on rhs is not equals to 1

[dlparkhurst]

This last error is an error from SOLUTION_SPECIES. You should be defining PHASES.

[dlparkhurst]

Code: [Select]

PHASES
Basalt_glass
 define_formula_here +  1.322 H2O  +  2.564 H+  = 1 SiO2(aq)  + 0.08 Na+  + 0.008 K+  + 0.18 Fe+2 + 0.35 Al+3    + 0.26 Mg+2 + 0.27 Ca+2  + 0.003 Mn+2
.
You should give the chemical formula of the glass where I have "define_formula_here". If you are using phreeqc.dat, you should use H4SiO4 instead of SiO2(aq).  The reaction should be balanced in charge and number of moles of each element.

[ReaganK]

Thanks a lot. This worked

K0.008Na0.08Ca0.27Mg0.26Mn0.003Fe0.18Al0.35SiO3.282 + 2.564H+ + 0.718H2O = 0.35Al+3 + 0.27Ca+2 + 0.18Fe+2 + H4SiO4 + 0.008K+ + 0.26Mg+2 + 0.003Mn+2 + 0.08Na+

Cheers