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range of thermodynamic data


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Hi Sheila,

 

The best way to see this information is to look at the thermo dataset being used by the GWB app. Go to File - View and select the thermo dataset from the list of files to open it in TEdit (GWB10 and later) or a text editor like Notepad (GWB9 and earlier). When you're looking at an entry for a particular species or mineral, you'll see at the bottom a block of 8 numbers. These are the log Ks for the reaction at the principal temperatures of the thermo dataset (check the top of the dataset to see what they are). If you see a value of 500, that indicates there is no data available at that particular temperature.

 

A species will not be loaded in a calculation if data does not exist for the temperature (or temperature range) of the simulation. The software will fit the log Ks to a temperature polynomial so that it can interpolate between data points. It will not extrapolate outside the temperature range, however, unless you enable the "extrapolate" option. You should be careful with this option.

 

Hope this helps,

 

Brian Farrell

Aqueous Solutions LLC

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