How to enable Pitzer model simulation to study changes in solubility and ion activity under high ionic strength conditions

[xujiangtao2018-oss]

I need to simulate reaction and dissolution in high-ionic-strength solutions. How do I enable the Pitzer model? thanks

[gdmiron]

Hello,
The easiest was at present is to create your modeling project using an existing Pitzer project as template. This will clone/copy the existent Pitzer project into yours and you can then continue from there. The limitation is that you can only use the elements existing in that project otherwise you need to extend the database of the project with additional species and parameters.

There are two main projects that use the Pitzer model:

GEOTHERM and PitzerTHE (test of subset of THEREDA database). You can first open these projects and check which one suits your needs. Then you can create your own project by selecting one of the two projects and [ x ] ticking the option to create a new project using the selected as template - then click the new project button. Leave all the settings as such.

You don't need to change anything but on the setup of aqueous and gas phase you will see that a database phase setup (in this case pitzer) will be used.

Once the project is create you will have all the calculations from the template project there. You can now create your own single calculations and process.

If you go to the database mode of the project and click on phases record you will see the definition of the aqueous phase to use the Pitzer model (in my case I used GEOTHERM as template)

The explanations of what do the indices mean are found here: Activity models page 37 pdf

Sometime before the end of the year (2026) we will provide the option to create a GEMS project using the THEREDA database. For now you can only have a subset of elements found by cloning the PitzerTHE project.