Total_O (the total amount of O(-2) in the aqueous species except in H2O) and Total_H (the total amount of H(1) in the aqueous species except in H2O) have to be explicitly defined for the boundary solutions when the solution compositions are not defined in terms of Solution Compositions but in terms of Concentrations in the Solute Transport – HP2 Components dialog window.
Total_O and Total_H can be calculated with PHREEQC for each solution using the following USER_PRINT command:
USER_PRINT
-start
10 PRINT "Total_O" tot("O") - 1000/18.016
20 PRINT "Total_H" tot("H") - 2*1000/18.016
30 PRINT "Charge" charge_balance
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Total_O and Total_H are then printed into the PHREEQC output file:
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