Oxidation extension for TOUGHREACT
I want to simulate the geochemical reaction of coal or shale after the injection of an oxidant such as persulfate. I wonder if I can simulate it by TOUGHREACT V1.2.
As I know, the sulfate anion is the primary species and the persulfate anion is the secondary species in TOUGHREACT. In the meanwhile, the sulfate anion is the main species for the dissolution and precipitation of the minerals, while the persulfate anion should be treated as a primary species due to the injection.
So is there anyone who can give me some suggestions to deal with this problem? Thank You!