Jump to content

About ACT2 result problem


JohnLiang
 Share

Recommended Posts

Guest Melika Sharifi

Dear John,

Act2, shows the stability of minerals and predominance of aqueous species for a single “element” or component, the diagram species, over the chosen axes: pH and Eh in your case. They’re allowed to complex with any of the ligands that you specify in the “in the presence of” field. Thus, when you add Fe++ to the "in the presence of field", you define the activity of Fe++ and allow it to make complexes with your main species. Thus, theoretically, you should get a different plot from when you don't have Fe++However, there are a few things in your plot that I think might not be set correctly:

1. If you are looking at the speciation of sulfur, there is no need to swap Pyrite in. Pyrite will show up on your plot if it is stable over the defined pH-Eh range.

2. if you know that your complexing species reacts under changing Eh or pH, you can include that in your graph using the "speciate over x”, “speciate over y”, or “speciate over x-y" options from the pulldown next to where you define your complexing species activity. For example., Fe++ would speciate and/or change oxidation state in response to changing pH and Eh.

Finally, to check your simulated environment go to the “plot” plane --> “view results” to see all the reactions and the activity of species in your system.

Hope this helps.

Bests,

Melika Sharifi

Aqueous Solutions LLC

Link to comment
Share on other sites

Guest Melika Sharifi

Dear Betty,

Act2 can be useful for understanding the geochemical conditions under which various mineral are stable. It calculates and plots activity-activity diagrams. This class of diagrams shows the stability of minerals and the predominance of aqueous species in chemical systems. A species activity, gas fugacity, activity or fugacity ratio, pH, Eh, or pe may serve as an axis variable. 

If you are trying to simulate reaction paths and precipitation/dissolution of minerals, you may need to use React. You specify the concentration of fluid components in your initial system, define a reaction path, and React computes the change in your initial system as it undergoes the defined reaction.

Hope this helps.

Bests,

Melika Sharifi,

Aqueous Solutions LLC

Link to comment
Share on other sites

Join the conversation

You can post now and register later. If you have an account, sign in now to post with your account.

Guest
Reply to this topic...

×   Pasted as rich text.   Paste as plain text instead

  Only 75 emoji are allowed.

×   Your link has been automatically embedded.   Display as a link instead

×   Your previous content has been restored.   Clear editor

×   You cannot paste images directly. Upload or insert images from URL.

Loading...
 Share

×
×
  • Create New...