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Hello Noam, 

The GWB installation comes with a set of thermodynamic databases. If the species/elements that you need for your model are not readily available in one of these databases, you can edit the database of your choice to add the elements and species for your work. The thermodynamic files with extension .tdat can be edited using GWB's TEdit application. Please see chapter 9 Using TEdit in the GWB Essentials User Guide for editing thermodynamic files. 

Please note that if you are changing the default thermodynamic database in the Preference dialog in Act2 (or any other GWB applications), the default database will be used in the next instance the application is launched. For the current instance, please go to File --> Thermo Data... and select the thermodynamic database you want to use. You can always check the thermo database loaded by going to File --> View. 

Best regards,

Jia Wang

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Hi Jia, can I edit the Phrqpitz database to include acetate and formate? I've been getting an invalid file error message after I input the virial coefficients.

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Hello Alero,

You should be able to add acetate and formate to the database. It's difficult to diagnose the issue without seeing your actual database. If you used a text file editor (e.g. Notepad), I would suggest double checking if the entries are formatted correctly. You can find the formatting guide for thermo datasets in chapter 3 of the GWB Reference User Guide. If you had edited in a text editor and still have the original dataset, can you also try modifying the original dataset using the TEdit application to see if you encounter the same error?

If you do not see any error in the dataset, please provide screenshots of the error message, the release version of GWB you are using and attach your modified dataset so we can further troubleshoot.

Best regards,
Jia Wang

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