Adding Be, Co, Cr, Hg, Mo, Sb, Tl and V to wateq4a.dat

[rfembilejr]

I wanted to modify the wateq4a.dat database so it includes Be, Co, Cr, Hg, Mo, Sb, Tl and V but I am not quite sure how to go about this without any error.
So I ended up just putting SOLUTION_MASTER_SPECIES in my script but then every time I run it returns the following sample errors. I guess I need to define more things in the script? It seems like wateq4a and minteq have different "formats" of the species they have defined, which makes it more complicated if I were to add each one.

ERROR: Elements in species have not been tabulated, Be+2.
ERROR: Reaction for species has not been defined, Be+2.
ERROR: Elements in species have not been tabulated, Co+2.
ERROR: Reaction for species has not been defined, Co+2.
ERROR: Elements in species have not been tabulated, Co+3.
ERROR: Reaction for species has not been defined, Co+3.

Thanks for any advice. :)

[dlparkhurst]

The database distributed with PHREEQC programs is wateq4f.dat, so I don't know if wateq4a.dat is a different database or not.

Another database distributed with PHREEQC is minteq.v4.dat (and also minteq.dat). I think this database has all of the definitions that you want, so you could simply use it.

If you really need to add the elements to the wateq database that you are using, you should be able to copy the definitions directly. You would need all of the element definitions in SOLUTION_MASTER_SPECIES for your new elements, and then all of the definitions in SOLUTION_SPECIES that involve your new elements, excluding any species that involve the new list of elements in the wateq database.