Solution_spread and reactions

[GeeqC]

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

[dlparkhurst]

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


[GeeqC]

Thanks very much!
It works. Apparently, SELECTED_OUTPUT follows directly below the RUN_CELLS block.

Best wishes,
GeeqC

[dlparkhurst]

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