how to add a new species to Act2

[aoqian]

Hi,

 

I want to add a new species to Act2. And this species is not present to the original Act2 database. How can I add a new species to Act2 and input stability constants and equilibrium constants for this new species?

 

e.g., I select Mn++ in the "diagram species" section and I want to add pyrophosphate besides H2O in the "in the presence of " section. I am looking forward to your response.

 

Thanks,

Ao Qian

[Guest Melika Sharifi]

Dear Ao,

 

Each thermo dataset in the GWB has a set of basis species, redox species, aqueous species, minerals, oxides, and gases. In Act2 or any other apps in the GWB software, only basis species of the loaded thermo dataset are directly available on the pulldown list. You can alter the basis species to reflect the geochemical constraints in your system by clicking the pulldown next to the species and choosing the aqueous species of your interest. And if you can not find the aqueous species of your interest in the database and are interested in adding new aqueous species/reactions along with their log Ks to each thermo dataset, you can use TEdit program which is a thermo data editor. Sections 9.2.3 and 9.2.4 in the GWB Essentials Guide describe how to add reactions to your thermo dataset using TEdit.

Hope this helps.

 

Bests,

Melika

Aqueous Solutions LLC