Example 7 - total volume reported in selected_output

[Ricardo Borba]

Dear David

If I understand correctly, in phreeqc manual was informed that The Volume gas phase reported in selected_output is in liters. When I saw the selected_output of simulation 3 (fixed_volume) of example 7, the  Volume gas phase was 2,32E+05, but in the input file it was 23,19L.
I would like to know what is the unit of volume gas phase in selected_out put and if this volume is the volume of head space of the bottle.

thank you

Ricardo

[dlparkhurst]

The volume is in liters. Simulation 3 of example 7 uses a fixed-volume gas phase, so, yes, it is the head space volume associated with the solution. However, the volume is a constant 23.2 L for simulation 3. Here is an excerpt from ex7.sel that shows the volume in the last column.

Code: [Select]

         sim        state     reaction     pressure    total mol       volume
1       i_soln -99 0.00E+00 0.00E+00 0.00E+00
1        react -99 0.00E+00 0.00E+00 0.00E+00
2        react 1.00E-03 1.10E+00 0.00E+00 0.00E+00
2        react 2.00E-03 1.10E+00 0.00E+00 0.00E+00
2        react 3.00E-03 1.10E+00 0.00E+00 0.00E+00
2        react 4.00E-03 1.10E+00 5.02E-04 1.11E-02
2        react 8.00E-03 1.10E+00 2.94E-03 6.51E-02
2        react 1.60E-02 1.10E+00 8.37E-03 1.86E-01
2        react 3.20E-02 1.10E+00 2.11E-02 4.67E-01
2        react 6.40E-02 1.10E+00 5.09E-02 1.13E+00
2        react 1.25E-01 1.10E+00 1.13E-01 2.51E+00
2        react 2.50E-01 1.10E+00 2.45E-01 5.42E+00
2        react 5.00E-01 1.10E+00 5.10E-01 1.13E+01
2        react 1.00E+00 1.10E+00 1.04E+00 2.31E+01
3        i_gas -99 0.00E+00 0.00E+00 0.00E+00
3        react 1.00E-03 6.41E-02 6.08E-02 2.32E+01
3        react 2.00E-03 6.52E-02 6.18E-02 2.32E+01
3        react 3.00E-03 6.62E-02 6.28E-02 2.32E+01
3        react 4.00E-03 6.73E-02 6.38E-02 2.32E+01
3        react 8.00E-03 7.16E-02 6.79E-02 2.32E+01
3        react 1.60E-02 8.02E-02 7.60E-02 2.32E+01
3        react 3.20E-02 9.73E-02 9.22E-02 2.32E+01
3        react 6.40E-02 1.31E-01 1.25E-01 2.32E+01
3        react 1.25E-01 1.97E-01 1.86E-01 2.32E+01
3        react 2.50E-01 3.30E-01 3.13E-01 2.32E+01
3        react 5.00E-01 5.96E-01 5.66E-01 2.32E+01
3        react 1.00E+00 1.13E+00 1.07E+00 2.32E+01