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Jia Wang

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  1. Hello Helge, Sorry about the delayed response. If you would like to put the results in a file, you can try exec_cmd with the normal "print" command in combination with the "suffix" command for changing the name just like one would normally do. The file should still get generated. If you would like a file name besides what can be done directly in React ( React_output[SUFFIX].txt ) then you can try a simple file rename in Python. Hope this helps, Jia Wang
  2. Hello Ulagai, Act2 can create stability or solubility diagram for a dominant species that you choose. You can choose the same species for the diagram species as your x or y axis species.You can see examples of this in section 5.2 of the GWB Essentials guide, where solubility diagrams of Uranium and Aluminium are plotted. In both cases, the y-axis is showing the species of interest and the x-axis is pH. There are a couple of things to note though. As mentioned in one of my previous posts above, Act2 cannot simply raise the power of the activity of a species on the x or y axis. Therefore, you would not be able to replicate your exact diagram with log a[F-]^2 in your x-axis. You can obtain the equilibrium equation to plot your diagram manually using Rxn though. Similar to your previous problem above, you can open up Rxn and select fluorite to write out a balanced reaction. Rxn automatically populates the components to balance fluorite in terms of Ca++ and F-. Enter the temperature at which you want to balance this reaction at and run the calculation. In the 'Results' pane, you will find the equilibrium equation written in terms of log a[Ca++] and 2 log a[F-], which are your y and x axes respectively. If you want, you can return to the basis pane and enter in an activity for F- while leaving the activity for Ca++ blank, run the calculation again to have Rxn calculate the activity of Ca++ for you. If you want to calculate activity of F-, then you would enter the activity of Ca++ in the basis pane and run the calculation. Hope this helps, Jia
  3. Hello Yuhan, Sorry for the delay in getting back to you. What release version of the software you are using? While it took a bit of time to complete the simulation, I did not encounter the too large residual error or the progress being stuck error. To start troubleshooting, I would recommend you using the the 'explain steps' and the 'Follow Output' options. By turning on 'explain steps', the GWB apps will report the limiting factor for the size of time steps over the course of the simulation (e.g. intensity of kinetic reaction, user set maximum steps, etc) . To enable 'explain steps', you can go to Config --> Stepping and select the check box for explain steps. Then to see the limiting factor reported by explain steps, make sure you also check the 'Follow Output' option on the Results pane too. You might also want to shorten your run time, maybe to just 1000 years, to check if your model is performing the calculations that you are expecting. Once you confirm that the model is setup correctly for the reactions you are expecting, then extend the simulation time to what you need. I also noticed that your model have a central row of nodes in which porosity is set to 1 and this might be causing issues with your simulation. Can you explain what you're trying to do in this model? Perhaps a 1D dual porosity model might suite your needs and would require less computational power than X2t. Hope this helps, Jia Wang
  4. Hello Kgaugelo, When you create a new GSS spreadsheet, a set of analytes are preloaded onto the spreadsheet and SO4-- should be one of them. In the case that an analyte is added to the spreadsheet, it will not be available to be added again. If SO4-- is not added to the spreadsheet already, you may want to check if the species is available in the thermo database you are using. You can view the thermo file using TEdit by going to 'File' --> 'View' --> select the thermo file with the extension .tdat. Please refer to section 3 Using GSS in the GWB Essentials User's Guide for more information and example. You can open the user's guide by pressing F1 when you have a GSS spreadsheet open or from the GWB dashboard under the Doc's pane. If you would like to have someone to take a closer look, please attach your GSS file. Hope this helps, Jia Wang
  5. Hello Dirk, Glad to hear you were able to resolve the issue. Best regards, Jia Wang
  6. Hi Dirk, It sounds like there might be a problem with your configuration file(s). Can you try creating a new folder (for example, make a GWB test folder on the desktop) and set that to be the working directory in X1t (File --> Working Directory --> select the new folder you just created), rerun your model, then see if you can open Xtplot. Alternatively, you can search for the config file(s) in your current working directory (.xtc extensions for Xtplot config files) and delete them, then rerun your model and try to plot. If that doesn't help, can you please attach a screen shot of the error message you receive when you try to plot? This will help us better assist you. Best regards, Jia Wang
  7. Hello Abelo, GSS uses SpecE8 to calculate the pH and Eh of the system. Unfortunately, there’s not a set equation to calculate these values. If you would like more information on the calculations and the methods used in SpecE8, please refer to the Geochemical and Biogeochemical Reaction Modeling text. Best regards, Jia Wang
  8. Hello Dirk, You can set up sorption reactions by loading in a surface dataset. The dataset holds information needed to perform sorption reactions in your system. Depending on the sorption model you choose, your surface data will consist of slightly different parameters. Very likely, you would need to edit the surface datasets distributed with The GWB specifically to your system. I would recommend you create a duplicate of a surface dataset distributed with The GWB (e.g. IonEx.sdat or FeOH.sdat) and make changes using TEdit. For more information on sorption in the GWB, please refer to section 2.5 Sorption onto mineral surfaces in the GWB Essentials Guide. The surface data files are distributed in a subfolder named ‘Gtdata’ where you installed the software on your computer. It sounds like the ‘flush model’ feature might be what you need to model your experiment. When you enable a flush model, React displaces fluid from the equilibrium system with unreacted fluid. At the start of a simulation, React will equilibrate the fluid composition in your basis pane before any reactions take place. I would recommend you setup the model with the local groundwater composition in the basis pane and then enter the contaminated fluid composition in the Reactant pane. For more information on flush model, please refer to section 3.3 Flush model of the GWB Reaction Modeling User Guide. Hope this helps, Jia Wang
  9. Hi Ulagai, I am glad you are back up and running. Best regards, Jia Wang
  10. Hello Usman, Here are a couple of suggestions that might help. I think you should consider using the SpecE8 app to calculate mineral saturation indices for your fluid. You can input your geochemical data for each of your fluid into the basis pane in SpecE8 and allow it to perform equilibrium calculation. In the Result pane, you can open and view the output file to see a list of mineral saturation indices. For more information and example, please refer to section 7.2 Equilibrium models in the GWB Essentials Guide. Alternatively, you can also calculate mineral saturation for all your fluid at once using a GSS spreadsheet. To do so, you would need to enter your geochemical data into a GSS spreadsheet and select 'Calculate with SpecE8' under '+analyte'. For more information, please refer to section 3.2.5 Calculating analytes in the GWB Essentials Guide. You can also display your data on the Activity diagram you created by using 'Scatter data'. For more information and example, please refer to section 5.6 Scatter data in the Essentials GWB guide. Hope this helps, Jia Wang
  11. Hello Ulagai, I have manually reset Zhanna's activation code and she can try to activate on her computer again. In the future, please do not post activation code(s) in forum post. You can send us the information at support@gwb.com if needed. Best regards, Jia Wang
  12. Hello Usman, To create an Activity-Activity diagram in Act2, you will need to know what the predominant species in your system you wish to diagram and the species for the x and y axes. The predominant species is selected for diagramming under ‘diagram species’ and you would need to enter its activity. For example, to make a redox-pH diagram for iron, you would select Fe++ as the diagram species and then on the x and y axis, select the activity for O2(aq) and pH respectively. The diagram will then show you the predominant species of iron base on the pH and activity of O2(aq). I am not exactly sure what you mean by Fe2+ V activity of O2-, can you clarify on the predominant species you wish to diagram for in Act2? There are a couple of places with good resources to help you get started. Please refer to section 5 Using Act2 in the GWB Essentials Guide for more information regarding calculations and examples. The example I mentioned above is demonstrated in detail in the Stability diagrams lesson at the GWB Academy. Please attach your input file and thermo database file if you want someone to take a further look. Best regards, Jia Wang
  13. Hello Rob, Thank you for the files. The issue here seems having multiple sample entries with same Sample ID. GSS expects each sample to have a unique Sample ID when entered into the spreadsheet. Perhaps you can add a unique identifier to your samples from different dates in the sample ID? Best regards, Jia Wang
  14. Hi Rob, Can you attach a screenshot of your Ternary plot and attach the .xtp file so someone can take a closer look? Thanks, Jia Wang
  15. Hello Rob, You would select samples to plot in the sample pane of your plot of choice. For example, if you're plotting a Piper diagram, you would double click on the center of diagram once it opens from GSS and select the Samples pane. You can select the samples you want to plot by holding down the 'Crtl' button while clicking. Please refer to section 8 Gtplot in the GWB Essentials Guide for more information. Best regards, Jia Wang
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