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Jia Wang

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Jia Wang last won the day on October 18

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  1. 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
  2. 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.
  3. 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
  4. 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
  5. 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
  6. 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,
  7. 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
  8. 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
  9. 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
  10. 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
  11. 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
  12. 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
  13. 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
  14. Hello Chelsea, My apologies for the delay. We looked into the issue that's causing Gtplot to crash when plotting XY plots. It seems like there were issue with some internal calculations for conversion units that was causing the plotting program to crash. I identified those by adding calculating the density of your samples using SpecE8 with 1 kg of solution and removed the samples where the density calculation failed. It seems like that helped with the crashing issue. Please find the modified GSS file attached below and let me know if you can launch XY plots successfully. Alternativ
  15. Hello Karen, I believe in order for the authors to set the effective rate constant as the rate_con parameter in this model, they had to choose both the volume fraction and specific surface areas such that the effective rate constant (k) was set to be equal to the intrinsic rate constant (k_+) in equation 8. In other words, the mineral fraction and specific surface area was to chosen so the product of mineral fraction, specific surface area, and the density is one. The volume fraction of 0.01 is chosen since the mineral fraction is not expected to change in the time scale of interest. In t
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