Incremental mixing with output to a file

[mcunnane]

The task at hand is to evaluate saturation indices when two solutions are mixed in varied proportions, with an end result consisting of a .csv file that provides the output for each mix solution in columns, so they can then be plotted in spreadsheet.

After pre-defining the solutions 1 and 2, I was hoping I could simply type in a bunch of mixtures and using SELECTED_OUTPUT direct the output to my file, so something like:

TITLE xx
MIX 1; 1 0.0; 2 1.0; MIX 2; 1 0.1; 2 0.9; .....
SELECTED_OUTPUT
-file sel_out.csv
-ph true
-temperature true
-saturation_indices Calcite Siderite Goethite
END

When I run this I get only one line of output corresponding to the first mixture.  Would sure be happy to hear how I can get this to work?

[dlparkhurst]

When you define multiple MIX data blocks within the same simulation, only the first is used. A simulation is defined by the input before an END statement.

If you put the MIX data blocks separated by END statements, you will get the results that you want.


TITLE xx
MIX 1; 1 0.0; 2 1.0;
SELECTED_OUTPUT
-file sel_out.csv
-ph true
-temperature true
-saturation_indices Calcite Siderite Goethite
END
MIX 2; 1 0.1; 2 0.9;
END
...