Phreeqc.dat differences between Phreeqc v2 and v3

[Jicé]

Hi,

While comparing Phreeqc v2 and v3 for a same water sample containing among others TotalSpecies Calcium, Magnesium and Fluoride, I observed a singular difference in Fluorite CaF2(s) Saturation index value, most higher in Phreeqc v3 than in v2.

As I looked into Phreeqc.dat files coming from Phreeqc v2 and v3, I noticed that a few Complex Species that were initially present in Phreeqc.dat v2 were removed/disabled from Phreeqc.dat v3, such as:

- NH4SO4-
- BF(OH)x
- NaF(aq)
- CaF+
- MgF+
- HF2-

As I'm sure there were reasons to remove those Species, would you mind enlighting us on why they were suppressed?

As usual, thanks a lot for your great support!

[dlparkhurst]

I think only CaF+ is commented out. Tony did not find it necessary in his fits for fluorite.

The current release of the databases phreeqc.dat and Amm.dat have the other species.