Customizing PHREEQC Database

[Samuel_Nidelli]

Hello!

Has anyone has any luck in customizing a PHREEQC database from the prebuilt databases that come on the batch version? I want to create a Python script that iterates through all of thermodynamic databases to isolate the reactions that are pertinent to the system I am studying.

The system I am studying is the following:

Cations:
Ca2+, Mg2+, K+

Anions:
NO3-, SO42-, Phosphate buffer system (H3PO4, H2PO4-, HPO42-, PO43-), Bicarbonate buffer system (H2CO3, HCO3-, CO32-)

I want to iterate with the following methodology:

1. Ca2+ and/or Mg2+ and/or K+ reacts with any anion(s) from the list
2. Mg2+ and/or K+ reacts with any anion(s) from the list
3. K+ reacts with any anion(s) from the list

Does anyone have experience doing this kind of task with a database in PHREEQC?

Thank you,

Samuel

[dlparkhurst]

Checkout the program lsp from phreeplot.org. I think it is exactly what you need.

[Samuel_Nidelli]

Thank you so much! This is what I need