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  1. Last week
  2. Hello Eva, Taking a quick look at your thermo database, I believe the issue might be caused by the log K values for the new reactions. They seem to be either incredibly large or small values (e.g. 3984175, -4005773). I would suggest checking these values against the source and make sure that they are in the correct units. If this doesn't help, can you please attach your input file along with the modified thermo dataset so we can directly troubleshoot? Hope this helps, Jia Wang
  3. Earlier
  4. Hello Fern, You can retrieve the numerical values from the Piper diagram by copying and pasting. Go to "Edit" and mouse over "Copy as" and select either the spreadsheet format or text format. You can paste it in an editor corresponding to that format. Please see section 8.5 Exporting plot in the GWB Essentials user guide for more details. The specific array size for stiff diagram plots cannot be set. However, you can configure the colors, labels, and plot size for an individual stiff diagram in Gtplot and then copy and paste it into a PowerPoint to rearrange according to your needs.
  5. Hello John, I am sorry to hear about your computer. I have reset your license and you can activating your new machine. Hope this helps, Jia Wang
  6. Hello Jia Wang! Thank you so much for your response. I have done just that and it has worked beautifully. I was wondering if you can help with 2 other questions. I've successfully plotted piper diagrams and would like to extract the values used to plot the diamond in the piper plot. How do i access these values within GWB Student version? Do i have to purchase the full version in order to access it? At the moment, all we have is a piper diagram, with no actual values to be stored in a spreadsheet. I am hoping to have the values presented in columns, so my colleague can use them
  7. Hi, My old computer with GWB installed is no longer working and I can't use it. Therefore, I have no way of deactivating the license. I want to use GWB on my new computer so I have no way of doing so. How do I rectify the issue? J
  8. Hi Jia, I have made pseudo minerals before (e.g., "arsenogoethite" in a paper I published in GCA at the end of 2019), so I was perplexed by the modified thermo.tdat database not seeing it when I tried to run X1t. I like to work from scripts and less so from the GUI, but maybe I'll try this approach you outline above. I wasn't making a surface dataset, because I was following the approach of Park et al. (2009) to add the pseudo minerals Na2EX2 and CaEX2 directly to the thermo.tdat file. I need to be able to "turn on" the cation exchange reaction for only a portion of the flow path because
  9. Hello Fern, The GWB doesn’t have a Gibbs diagram default setting. I can’t think of another software off the top of my head that does it by default. However, it is pretty easy to define a user equation in GSS to calculate the component concentration ratio (e.g. (Ca/(Ca+Na)) and plot that value against the measured TDS value in a Cross plot. The cross plot can be exported to Powerpoint or other photo editor and draw in the dominance zones manually for the Gibbs diagram. For more information on how to define user equations in GSS and plotting cross plots, please refer to sections 3.3.5
  10. Hello Kristin, With regards to your first question, I believe the TSS analyte is added as a user defined analyte. When doing so, you would have selected the category, dimension, and the default unit for your analyte. If you do not select a category, dimension, and a unit for TSS, then the default is just a number without any concentration units. For more information on user defined analytes, please refer to section 3.3.5 in the GWB Essential user’s guides. Default units for titration acidity are in equivalent base per volume or kg of fluid. Unfortunately, there is not a way to add m
  11. mschock, Thank you for the reference. I was able to find a more complete representation with the minteq database. I'm interested in your suggestion of presenting multiples of the same solid phase. Could you share a script where you did so? Even if not lead, I can adapt it. I'm just real new to this software and found it more effective to start from functional scripts than from scratch.
  12. Hi, I have succesfully plotted piper and stiff diagrams and would also like to plot Gibbs diagram. Does the GWB student version allow me to do so or is it only available with the full version. If so, do I purchase the professional, standard or essentials version? Thanks.
  13. We have made several modifications to the thermo database, specifically to carbon and nitrogen, and are now having trouble with getting it to work. We changed the basis species to CO(aq) and NO(aq) and then redefined various redox couples, aqueous species and gases. However, when we now try to run a model in REACT, for example, and we add anything to do with redox reactions, an error message appears saying that the model did not converge. Our modified database is attached. If anyone can spot a mistake, please let us know. Thanks! thermo_StA-CES 8 (1).tdat
  14. Hello Kewei, The thermo.tdat database is compiled by Lawrence Livermore National Laboratory (LLNL). The references for this database are listed at the end of the document. You can see them in the Header section pane if you open the dataset in TEdit or at the end of the text file if you open it with a text editor. If you cannot find reference you need, you might want to look at the original report that was published by LLNL or consider contacting the original authors. Here is the reference for the original report from the GWB Essentials User Guide: Delany, J.M. and S.R. Lundeen,
  15. I also don't have the option to change Acidity units to mg/l as CaCO3
  16. When I try to add the units of the user defined analyte TSS the units function is greyed out. How do I fix this so that I can change them?
  17. 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
  18. Hello Karen, My apologies for missing this post last week. You can definitely use a custom rate law script to describe kinetic mineral dissolution/precipitation as well as ion-exchange in X1t. Please see my response to your more recent post here. Hope this helps, Jia Wang
  19. Hello Andrews, I am sorry to hear about your computer troubles. I have reset you license in our system so you can try activating again. Best regards, Jia Wang
  20. Thank you, Jia. The solutions I'm working with have ionic strengths as high as 5-6 molal, hence the need for Phrqpitz.tdat. I'll keep in mind your comment on the virial coefficients and under what experimental conditions they were derived. Alero
  21. Hello Alero, You can certainly edit the thermo dataset you wish to include interaction coefficients for acetate and formate but I would recommend being careful when editing virial datasets. These datasets can be used for modeling solution of high salinity but it can also give misleading results if the fluid composition of your system deviates drastically from the experiments used to derive the virial coefficients. React would not stop you from using a different thermo database for your React calculation than your GSS calculation. However, please note the Phrqpitz.tdat database uses
  22. 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 th
  23. Hello Karen, I think you can use the basic script files but I am not sure why X1t is not able to recognize the pseudo-minerals without seeing your database. Perhaps the thermo dataset is not properly loaded? This paper was published before kinetic sorption was integrated into GWB and thus the use of the pseudo minerals for ion exchange surfaces. Starting with Release 9, the GWB has added capabilities to incorporate surface complexation and sorption as a kinetic reaction using the species available in the surface dataset loaded. You can load the ion exchange dataset by going to "File" --&g
  24. Hi, Please my computer crashed. Unfortunately when I obtained a new computer I could not activate the GEOCHEMIST WORK BENCH, student edition with the code i received via the LinkedIn. I will therefore appreciate if someone can provide me with information on how I can activate my installed GEOCHEMIST WORKBENCH students edition. Thank you
  25. 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.
  26. Hi Noam, I think you are referring to the checkbox in the Appearance dialog, when checked shows mineral fields on the ACT2 diagram. Act2 can calculate Eh-pH diagram and show the stability of minerals and the predominance of aqueous species in a chemical system. The range of the stability field for the mineral would depend on the chemical system in which you are making this diagram for. If you uncheck the minerals fields, you are removing all minerals from the diagram calculation and telling Act2 to consider only aqueous and gas species for your diagram. Hope this helps, Jia Wang
  27. 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 appl
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