PhreeqcUsers Discussion Forum

Beginners => PHREEQC basics => Topic started by: GeeqC on May 28, 2019, 05:37:33 PM

Title: Solution_spread and reactions
Post by: GeeqC on May 28, 2019, 05:37:33 PM
Dear All,

For some time I am trying to figure out how to equilibrate an equilibrium phase or a gas phase with a set of solutions in a solution spread. The problem is that always only the reaction with the first solution is calculated.

Is there a way to calculate the reaction step for all solutions in the solution spread? And can the results be compiled in a single selected output file?

Best wishes,
GeeqC
Title: Re: Solution_spread and reactions
Post by: dlparkhurst on May 28, 2019, 06:25:58 PM
This will do it. RUN_CELLS automatically saves solutions and reactants under the same user number.

Code: [Select]
SOLUTION_SPREAD
 Number pH
      2   7
      3   7
END
EQUILIBRIUM_PHASES 2-3
Calcite 0 10
END
RUN_CELLS
    -cells 2-3
END
Title: Re: Solution_spread and reactions
Post by: GeeqC on May 28, 2019, 09:57:16 PM
Thanks very much!
It works. Apparently, SELECTED_OUTPUT follows directly below the RUN_CELLS block.

Best wishes,
GeeqC
Title: Re: Solution_spread and reactions
Post by: dlparkhurst on May 28, 2019, 11:31:31 PM
SELECTED_OUTPUT can be before or after RUN_CELLS; keyword data blocks may be in any order between END statements.

You could also have

END
SELECTED_OUTPUT
...
END
RUN_CELLS
...
END