X1t Errors

[shensel]

Hello GWB,

I am working on a surface complexation model for vanadium, creating a 1D transport model in X1t.  I am receiving an error code when trying to import the FeOH_minteq.sdat sorbing surfaces dataset, and I cannot figure out how to troubleshoot this error code.  I would like to use this sorption survfaces dataset as it is the most comprehensive for vanadium I could find, and it allows for both (s) and (w) sorption sites.  I have not manipulated this database in anyway, and have actually downloaded a fresh .sdat file from GWB, and I am getting the same error code (shown below).  The thermodynamic database I am using is thermo.com.V8.R6+.tdat.  The thermodynamic dataset has not been manipulated yet either.  Below are the errors I am getting, and need help troubleshooting.  I have already trying using and importing tutorial and available example input files, but to no success.  The mentions the file is corrupt or incomplete at line 763, I’ve looked at the code on line 763 and do not understand the error. 

The first and second error windows are attached.

 

Thanks,

Scott

[Jia Wang]

Hello Scott,

Thanks for providing the screenshots of the errors and details. I think I know the cause of this issue. When a surface dataset is created for the GWB, the dataset itself draws its species and minerals from a specified thermo dataset. The name of the thermo dataset is included in the surface dataset under the header lines in the beginning of the text file or in the Header pane if you are viewing in TEdit. When a surface dataset is loaded in a calculation, it is best to either use the thermo dataset specified in the surface dataset or make one that's compatible (i.e. includes all the species used in the surface dataset). In this case, FeOH_minteq.sdat was setup originally to use species from the thermo_minteq.tdat and sorbing mineral, Ferrihydrite, that is used in FeOH_minteq.sdat does not exist in thermo.com.V8.R6+, so the software was not able to find it and thus cannot load the database properly. If you are interested in using this surface dataset, I would suggest taking a look at the thermo_minteq.tdat to see if it is sufficient. If you want to use thermo.com.V8.R6+, then you might consider building a new surface database. For more information on this, please refer to section 4 Surface Datasets in the GWB Reference User Guide. 

I also want to let you know that error messages are improved in GWB 2021 (release version 15). In this case, the above error message would show "Error: Unknown sorbing mineral "Ferrihydrite" at line 37 in the surface database." The latest release would also check for the thermo dataset used when loading a surface dataset. If the thermo dataset specified in the surface dataset is different from the one currently loaded, the software will ask if you would like to load the corresponding thermo database. Current subscribers receive the newest release as part of their subscription. To upgrade to GWB 2021, go to check for updates on the Support pane of the GWB dashboard or download from the updates pages. 

Hope this helps,
Jia Wang

[Jia Wang]

Hello Scott,

I just want to follow up with a little bit more information regarding dataset editing. The improved TEdit app in GWB 2021 will open up a dataset even when it detects errors and incompatibilities. If you like, you can use TEdit to create a custom version of the FeOH_minteq.sdat that draws species and minerals from thermo.com.V8.R6+ by changing the thermo file in the header pane of FeOH_minteq.sdat. When you do that, TEdit's error status window will pop up and show a list of all incompatibilities due to the thermo dataset change. You can work through the errors to complete your new dataset. You can view a similar example to this here, just expand the section under "Global error checks" for more information.

Best regards,
Jia Wang