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[OLD] GWB questions


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From: Charles F. Weber

Subject: GWB questions

Can anyone answer the following questions concerning the REACT program:

1) It appears that an inventory of 0 for Cl- produces an error. I am simply trying to calculate the solubilities of minerals in Cl free systems. Am I missing something?

2) The solubility of NaCl at 25 C is calculated to be > 9 molal. Did I do the calculation right? Is the discrepancy due to inadequacy of the activity coefficient model at higher ionic strengths?

 

From: James Cleverley

Subject: Re: GWB questions

"1) It appears that an inventory of 0 for Cl- produces an error. I am simply trying to calculate the solubilities of minerals in Cl free systems. Am I missing something?"

REACT is set to default charge balance on Cl- - if you do not want Cl- in the system choose another charge balance species: Balance on X where x is the species. Also you can not set a concentration to 0 - either leave it out or put the concentration to a negligible amount (1e-10?).

"2) The solubility of NaCl at 25 C is calculated to be > 9 molal. Did I do the calculation right? Is the discrepancy due to inadequacy of the activity coefficient model at higher ionic strengths?" How did you calculate this???

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