Mineral Species Definition in PFLOTRAN Database

[Yiwei Cai]

Hi all,

I am currently working on modeling gold precipitation using PFLOTRAN. Since the reaction equations for the relevant gold minerals are not included in the existing database, I am adding them manually.

I would like to clarify one point:

In the MINERALS section of the PFLOTRAN database, do the species involved in the mineral reactions need to be primary species only? Or is it acceptable to use secondary species (i.e., complexes defined through equilibrium reactions) as reactants or products?

Thank you very much for your assistance.

Best regards,

Yiwei

[Hammond, Glenn E]

Yiwei,

 

Mineral reactions in the database may contain secondary aqueous species (complexes) or gases listed in the database. PFLOTRAN will swap the complexes and gases for their primary counterparts. An example of this is the U++++ (secondary complex) in Uraninite. And note that the O2(g) in U++++ is also swapped.

 

Glenn

 

From: pflotra...@googlegroups.com <pflotra...@googlegroups.com> on behalf of Yiwei Cai <caiyi...@gmail.com>
Date: Friday, June 20, 2025 at 2:38 AM
To: pflotran-users <pflotra...@googlegroups.com>
Subject: [pflotran-users: 8447] Mineral Species Definition in PFLOTRAN Database

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