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Vincent

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About Vincent

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  • Birthday 06/17/1978

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    http://comp.uark.edu/~vchevrie/

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    Fayetteville, Arkansas, USA

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  1. Helge I think I checked aphi in the past and I had not seen any significant change or that abrupt at 239 K (I am still trying to figure out why this temperature since none of my values is defined at this temperature, I go by 20 K increments from 193 to 333 K). How can I send you the database privately? Thank you again for your help Vincent
  2. Helge, To answer your comments: - I am aware of the martian geochemistry papers (that one and a whole collection of similar papers). This is the reason why I am trying to develop this database. Marion (the paper you cite) uses a code called FREZCHEM which works under 0oC and can model freezing and evaporation. Interestingly I tried to include ice precipitation in the database but this generates an error ("phase rule violation") when running the code but it still shows the saturation index for water ice, which is all you need to see when ice precipitates. - No database is design
  3. Hello, I have encountered an issue when running the react code I can't explain. For my research I need to run evaporation simulations well below the freezing point of pure liquid water. Therefore, I designed an extension of the Thermo_phrqpitz database down to -80oC (60, 40, 20, 0, -20, -40, -60 and -80oC). I added numerous minerals and aqueous species along with their pitzer parameters, from recent literature publications. However, when I run the code, I encounter a sudden jump in water activity between 239 and 239.1 K, which I can't explain in any way. This jump affects the water activi
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