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[OLD] Suppress options


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From: Laiq Rahman

Subject: Suppress options

Is there any method to prevent a basis species from appearing on a (TACT/ACT2) diagram once it has been swapped out of the basis?

 

From: Craig Bethke

Subject: Re: Suppress options

There is a way, but it involves making a small change to the thermo dataset. Suppose you want to suppress SO4--:

1) Save the thermo dataset under a new name, and use this as your working copy.

2) Choose another species such as HSO4- to be the new basis species. Add it to the group of basis species at the top of the dataset, and remove it from the list of aqueous species.

3) Add SO4-- to the list of redox couples. The reaction to form it should be written in terms of HSO4-, the new basis species. Use the "block" command in Rxn to balance the reaction and output the entry for the thermo data.

4) Copy the entry from Rxn_block.txt and paste to the thermo dataset.

5) Rebalance any other reactions (in this case, HS-) among the redox couples containing SO4-- so that they are written in terms of HSO4-. Again, use the "block" command of Rxn. Leave all other entries (aqueous species, minerals, ...) as they are.

6) Make sure the headers are correct: you now have one fewer aqueous species and one more redox couple.

7) Now you are ready: run Act2, read in the new thermo data (you will receive a warning that SO4--/HSO4- does not form a redox couple, which you can ignore), and suppress SO4-- in your diagram.

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