Entering a new element to the database

[ZTwatson]

I have a few ions that do not exist in the thermo.dat database. For example, Ti (Titanium). How do I go about adding these ions to my GSS data sheet so I can have them in my solution calculations?

 

Thanks,

Zach W.

[Brian Farrell]

Hi Zach,

 

Depending on your needs, you have a few options. You can create a User defined analyte for Ti within GSS. By entering the molecular weight and ionic charge of the Ti species you choose, you'll be able to perform simple operations like unit conversions. See section 3.3.4 (User defined analytes) of the GWB Essentials Guide.

 

For more advanced analyses, like calculating the distribution of Ti species in solution or the saturation state of Ti minerals, you'll need to make a custom thermo dataset with Ti. The Thermo dataset Appendix to the GWB Reference Manual has instructions for adding species to thermo datasets. You can also try some of the other datasets included with GWB, to see if they have the species and minerals which might be important in your system.

 

Hope this helps,

 

Brian Farrell

Aqueous Solutions LLC