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Brian Farrell

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Brian Farrell last won the day on June 14 2023

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  1. Hi Johan, The activation looks fine. If you still have the standalone ChemPlugin SDK installed (under Program File\ChemPlugin), I would start by uninstalling that. Then, try reinstalling GWB Professional. Your original download link should download the latest version, which is currently 17.0.2. I would leave the option to set PATH and PYTHONPATH set. Then, reboot your computer to make sure your environment variables are updated. Then check not only your PYTHONPATH, but also your PATH environment variables. Then try to run your ChemPlugin client again. If you're getting the same error, can you please open the command prompt, type “python”, then issue the following commands and provide screenshots? import os,sys print(sys.path) print(os.listdir('C:\\Program Files\\Gwb\\src')) print(os.environ['CPI_BIN_PATH']) print(os.listdir(os.environ['CPI_BIN_PATH'])) Thanks, Brian Farrell Aqueous Solutions
  2. Hi Scott, Thanks again for bringing this issue to our attention. To get you and other affected users up and running now, we have created a release candidate installer. To download, use the link below. GWB17.0.2rc2_setup.exe The fix will be included in the next maintenance release. Please let us know if you run into any other issues with the release candidate. Regards, Brian
  3. Hi John, No, there is no way to combine the diagrams in Act2. PowerPoint is the way to go. Regards, Brian Farrell Aqueous Solutions LLC
  4. Hi John, In the top right of your screen, click "+ Create", then choose "Topic", then choose an appropriate forum (GWB for paid users, GWB Community for free license users). Thanks, Brian Farrell Aqueous Solutions
  5. Hi Farrell, GSS doesn't do precipitation, so there's no need to explicitly add the React command "precip off", and, in fact, it's not allowed. Just remove the command and the calculation should work. When you say "wrong results", do you mean there are none, because the calculation failed? Or are some values different? Regards, Brian
  6. Hi Scott, FYI, we're testing a potential fix for this. We'll give you an update when it becomes available. Thanks for your patience. Regards, Brian
  7. Hi Scott, That looks like a bug in GSS. It looks like GSS isn't including the unit when it prepares input for SpecE8, which does the calculations. As a result, SpecE8 is using the specified number with mg/kg_as_CaCO3 units instead of whatever you specified. Until we can release a fix, you should use the default unit for carbonate alkalinity. Thanks for bringing this to our attention. I apologize for the error. Regards, Brian Farrell Aqueous Solutions LLC
  8. Since you're curious, the name comes from "The Geochemist's Spreadsheet", but I wouldn't get into that in a publication. The name of the app is GSS. Cheers, Brian Farrell Aqueous Solutions LLC
  9. Hi Matias, The GWB programs are set up so that you cannot suppress basis species, whether they are the original basis species as specified in the thermo dataset, or those that are currently swapped into the basis of an app like Act2. If you're interested in showing only intermediate valence compounds, like thiosulfate or sulfurous acid, you can use the TEdit app to rebalance some of the reactions in the dataset. Looking at thermo_sit.tdat as an example, if you exchange the positions of S2O3-- and SO4--, you can load the modified dataset into Act2, add S2O3-- to the basis, then suppress SO4-- and H(SO4)-- to get a diagram that shows a variety of non-S(VI) species. And by rebalancing just a few more reactions in the dataset, such as the redox coupling reactions for HS- or SO3-- so that they're in terms of S2O3-- instead of SO4--, you can simply decouple SO4-- in Act2. That way, you eliminate SO4-- and all species coupled to it with a single command, rather than suppressing all such species individually. For more information on the various rebalancing capabilities in TEdit, please see sections 9.2.8, Rebalancing reactions, and 9.2.9, Adjusting redox coupling, in the GWB Essentials Guide. Hope this helps, Brian Farrell Aqueous Solutions
  10. Hi Xiaofan, GWB thermodynamic datasets contain entries for the molar volume of minerals, in cm3/mol. A "0" value indicates that no data is available. Rather than using a "0" value, which implies an infinite density, the GWB modeling programs estimate the mole volume of such minerals assuming a density of 2.65 g/cm3. The formula is mole volume = mole weight/ density. The thermo_minteq.tdat dataset contains no values for mole volume because the program from which it was converted, Visual MINTEQ, does not use or contain such data. Thus, all densities you see in the Show dialog when that dataset are loaded are the same, 2.65 g/cm3. On the other hand, the GWB's default dataset, thermo.tdat, contains mole volumes for a large number of minerals. The values for Hematite and Goethite are quite close to those you report. This dataset originated from Lawrence Livermore National Lab. You can view or edit any dataset in the TEdit program, or in a text editor, if you prefer. Hope this helps, Brian Farrell Aqueous Solutions LLC
  11. Hi Anoop, It looks like your attachment is just a blank GSS file, so I wasn't able to take a look at what might be wrong. However, I'm glad to hear you figured out a solution. Note, you can preserve your original analyses but instruct the program to charge balance on Na+ using the Analysis > Options dialog, with a trailer command such as "balance on Na+". For more on command format, see the SpecE8 chapter in the GWB Command Reference. Regards, Brian Farrell Aqueous Solutions
  12. Hi Lufuno, I recommend following the steps in the tutorial "How do I transfer my data from Excel to GSS" under "Geochemical spreadsheet" on https://www.gwb.com/tutorials.php. Basically, transpose the datasheet, add analytes in the order of your Excel file with appropriate units, then paste the interior data cells all at once. Note, the program can use a "carbonate alkalinity", not a total alkalinity. If carbonate species don't dominate the fluid's total alkalinity, you may want to try using a reaction model to reproduce the original titration determination as a way to solve for the HCO3- component concentration. For more information, please see section 16.1, Buffers in Solution, in the Geochemical and Biogeochemical Reaction Modeling text, third edition. You'll have to make a choice about some of the redox-active components, like whether to use Fe++ vs. Fe+++. For more information, see 2.4 Redox couples and 7.3 Redox disequilibrium in the GWB Essentials Guide. Regards, Brian Farrell Aqueous Solutions
  13. For anyone who comes across this old post, in GWB 2023 the solid solution model has been extended to include some of the capabilities described for EQ3/6, such as the site-mixing model. Furthermore, the TEdit app can be used to import any EQ3/6 dataset to GWB format. And conversely, GWB datasets using the b-dot and h-m-w models can be exported to EQ3/6 format. For more information, please see 2.5 Solid solutions, 9.3.2 Importing EQ3/6 datasets, and 9.3.3 Exporting EQ3/6 datasets in the GWB Essentials Guide. Regards, Brian Farrell Aqueous Solutions
  14. For anyone who comes across this old post, several solutions for generating GWB datasets from SUPCRT or similar repositories have been published over the years and are linked to from the bottom of https://www.gwb.com/thermo.php. As for conversion from EQ3/6, in GWB 2023 the TEdit app can be used to import any EQ3/6 dataset to GWB format. And conversely, GWB datasets using the b-dot and h-m-w models can be exported to EQ3/6 format. For more information, please see 9.3.2 Importing EQ3/6 datasets and 9.3.3 Exporting EQ3/6 datasets in the GWB Essentials Guide. Regards, Brian Farrell Aqueous Solutions
  15. For anyone who comes across this old post, several solutions for generating GWB datasets from SUPCRT or similar repositories have been published over the years and are linked to from the bottom of https://www.gwb.com/thermo.php. As for conversion from EQ3/6, in GWB 2023 the TEdit app can be used to import any EQ3/6 dataset to GWB format. And conversely, GWB datasets using the b-dot and h-m-w models can be exported to EQ3/6 format. For more information, please see 9.3.2 Importing EQ3/6 datasets and 9.3.3 Exporting EQ3/6 datasets in the GWB Essentials Guide. Regards, Brian Farrell Aqueous Solutions
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