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[OLD] Anhydrite - dataset change


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From: Paul Foellbach

Subject: ANHYDRITE - dataset change

I attempt to model the Stability of Anhydrite at 200 bars between 0 and 300 °C.I calculated the log Ks of the reaction ANHYDRITE= Ca++ + SO4— with SUPCRT92 for the Temperatures 0-300 at 200 bars. I replaced the LogKs of the thermo-dataset-reaction of Anhydrite in the data section MINERALS (written with BASIS species) with the SUPCRT-calculated logKs. Here's the script for REACT:

Read data for 646 aqueous species, 625 minerals, and 10 gases.

> temperature initial = 0, final = 300

> 1 kg free H2O

> balance on Ca++

> total molality SO4-- = .028

It is not running. I have to close REACT because of a specific error.

From: William F. McKenzie

Subject: Re: ANHYDRITE - dataset change

Try the following (T initial = 0.01):

React> react 500 mg Anhydrite

React> temperature initial = .01, final = 300

React> balance on Ca++

React> total molality SO4-- = .028

React> go

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