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  1. Today
  2. Thanks. The Notepad was exactly what I was asking. I tried to add a few loops to change the CO2(aq) input. It seems it did run for 11 iterations in the Result panel (with 11 successful reaction paths and 116 steps in each path. However, when I click the view results, it only gave me the most recent reaction path results. How do I report result after each iteration? Currently, I don't even know if the CO2(aq) is changing in each iteration... the result panel only shows the general status of each iteration. For example, if I want to report pH at step #0 of each CO2(aq) input, my script is
  3. Last week
  4. Hi Wei, Just to add a little bit more detail with regards to option reading in files to React. You can also use a simple text editor (e.g. Notepad) to prepare scripts for React. You would simply need to save the text file with a .rea extension and read it into React. Within a script for React, you can also include control statements (see Control Script chapter in the Reference Manual) for additional options to report results from React. An example using a control script to to add the results of GWB calculations to a spreadsheet containing multiple chemical analysis is provided in the Cont
  5. Hello Wei, The Command pane in the React graphical user interface is used for entering commands to configure the current React instance. You can configure your React instance faster in the Command pane than clicking through various buttons on the interface. With the description you provided above, I think what you would want to use is probably the Plug-in feature. With the Plug-in feature, you can set up a script in a programming language of your choice and then call React to solve the problem and report the results. If you would like to use Python for this, you can get started by following
  6. Hi, I am doing a reaction path modeling in React. React 5 minerals with a ground water and see the equilibrium status with different fixed CO2(aq) concentrations. I am trying to change the CO2(aq) input from 0 to 1.2 mol/kg (and other parameters in the future). I did this manually for 10 input concentrations and realized it's labor-intensive. The results we want are the Step #0 and the last Step. I have to open the txt result file and manually find these two steps. I learnt that I can write script in GWB command window to add in some loops to run and report in batches. I got stuck in the first
  7. Thanks, Jia. I'm sure this will help. I saw the Plugin feature, but I must admit it would take quite some time to understand it. Denis
  8. Hello Denis, The remote control feature is now a legacy feature that is replaced by the Plugin feature. If you would like to pursue this route, I would recommend using the Plugin feature instead of Remote Control. On the other hand, if you or your colleague is planning to do a little programming, I think you might have better luck with what you're doing using a compiled rate law instead. The advantage to using this method is that you can call information from specific vectors that are available in the data structure stored in the program run that is not available in a norma
  9. Hello Antonio, Thank you for notifying us of this issue. We have corrected the issue now and you should be able to activate the software with your Community license. Best regards, Jia Wang
  10. Earlier
  11. I am installing for the first time GWB but when I introduced the activation code appeared a warning saying that there is no record of my activation code. What can I do?
  12. Dear GWB users, A problem was detected reading in thermo dataset entries that were edited by hand in a text editor when tabs are used in place of spaces in an entry, such as between a mineral's name and its type: Calcite type= carbonate formula= CaCO3 mole vol.= 36.9 cc mole wt.= 100.0892 g The user would receive an error like "Could not suppress Calcite" or "Could not identify reactant species Calcite". The issue has been fixed and a release candidate installer is available to get affected users up and running right away: GWB 15.0.1rc1
  13. Hi Karen, We've made a fix to the problem you've encountered. Please download and install this "release candidate" and try using your customized thermo dataset. 15.0.1rc1 installer I don't know why X1t would crash for you, but if it happens again you might try reinstalling and restarting your computer. And you can also try recompiling your rate law function after reinstalling 15.0.1rc1. Please let us know if you have any more issues and we'll work to fix them as soon as possible. Regards, Brian
  14. Hi Brian, I figured it was something like this as the problem I had before was related to spaces or lack of spaces between some of my terms in my dummy minerals. Your colleague was really helpful finding this issue in my database. That said, I was so frustrated, I tried to re-install GWB 14 over the new updates and now I have no idea what version I have on my home computer. When I tried to run my x1t code, it started and then just "flashed out". That is, it was doing something and then just disappeared from view. This suggests that it probably crashed. So now I have made another problem f
  15. Hi Karen, We put a lot of work into adding flexibility to thermo datasets and improving TEdit, but unfortunately we introduced a problem handling minerals that include tabs, rather than spaces, in their entry. Assuming you're using the same thermo dataset that you had trouble modifying previously, I've gone to your Na2EX2 and CaEX2 additions and simply replaced the tab characters between the name and type fields with spaces. If you have made more modifications, you can make a copy and replace the tabs with spaces by hand, or do it automatically with an editor like Notepad++ (go to Edit &g
  16. Why won't this new release work with my GWB 14 scripts? I have never experienced this before. I wish someone would actually respond to my numerous queries.
  17. Dear GWB users, We are pleased to introduce GWB Community Edition, the free toolset for aqueous chemists! Featuring speciation, surface complexation, activity diagrams, a thermo data editor, water chemistry plots and a spreadsheet, GWB Community Edition makes quick work of tasks small and large. Download Community Edition today and join the GWB Community! Best regards, Team GWB P.S. Take advantage of our online support resources and help keep GWB Community free!
  18. Dear GWB12 users, We are pleased to announce our latest maintenance release for GWB12, GWB 12.0.7. The 12.0.7 update provides a fix to calculated analytes in GSS when temperature is given in Fahrenheit; fixes a bug saving Pcrit, Tcrit, and omega in TEdit; and provides fixes for all known issues. Update from 12.0.0-12.0.6 at no charge to ensure you have all the newest features and bug fixes. Existing installations should automatically update to this release, unless auto-update is disabled. In that case, users should update their installations from the Help menu of any GWB app.
  19. Hello John, The default thermodynamic database used in The GWB is thermo.tdat, a compilation of thermo data from the Lawrence Livermore National Laboratory. There are many other databases included with the GWB installation. You can find all of them in the Gtdata subfolder where you installed The GWB on your machine. One that you might be particularly interested in for your work is thermo.com.V8.R6+. This dataset is an expanded variant of thermo.tdat, containing many organic species and radionuclides. The Cu2+ species is included as a basis species in this dataset. You can also add entries
  20. Hello Karmina, I think the issue here is the dxplot parameter. The dxplot command sets the interval in reaction progress printed out to your plot. The default value in React is set at 0.005 which results in printing out a total of 200 steps. You can decrease the interval value to print out more steps. If you want to print out every iteration to the plot, then you can adjust this value to 0. For more information, please refer to section 2.7 Settable variables in the Reaction Modeling User Guide. Hope this helps, Jia Wang
  21. Hi everyone, I am trying to use spec8 to calculate if I need to worry about iron and copper phosphate precipitates in some anaerobic culture medium. The copper added to the culture medium is in the 2+ oxidation state but the basis module only includes Cu + under the default settings. Is there another thermodynamic database that includes Cu 2+ as an option? The other ions I will need to include are Fe 2+, SO4 2-, Cl-, Na+, Ca 2+, Mg 2+, K+, and HPO4 - Any suggestions for how to get around this would be appreciated!
  22. JIa, I wrote wrote a post last week about using the 'remote' technique to solve the problem of accessing the rate constant from Min A in the Min B script. However, it occurred to me that running two react simulations simultaneously might also be a possibility. I installed Visual Studio and imported RC_example2.app and, after making the appropriate change to the RC_helper.h directory and pasting the script into the Visual edit screen, encountered no less than 450 errors when I tested jus the first line of the code!! I would have thought that this would have been a more straight forward
  23. Dear GWB users, We have good news to start the year: GWB 2021 is here! GWB 2021 brings SIT activity coefficients, an all new thermo data editor, the ability to import thermo datasets from PhreeqC, and much more! Your GWB subscription will upgrade automatically within three days, or simply click “Check for updates” on the GWB dashboard. Not subscribing yet? Take advantage of one of our flexible plans or upgrade that old GWB license to a modern subscription. Contact us today for a quote, or go shopping at our online store and you’ll be up and running in minutes. Sincerely,
  24. Hello Thais98, As far as I can tell, there doesn't seem to be a limit to the degree of supersaturation. I ran your React file and saw that calcite did become supersaturated with respect to the fluid at an early point in your simulation. If you copy and paste the mineral saturation data to an excel spreadsheet, you can see that Q/K is greater than 1 at some early points of the simulation, which indicates that calcite is supersaturated with respect to the fluid. When that occurs, calcite is precipitated at a rate prescribed by the rate law. You can check this by looking at the dissolution r
  25. Hi, Related to this. I wanted to have more details/data points on my plot. I increased the number of iterations in my reaction (up to 1000 steps) via Config, however copy-pasting from gtplot to excel only copies about 200 points. Is there a way I can copy all of the steps? Thanks a lot, Karmina
  26. Jia, It looks like I should be able to use a controlling script to do what I want...correct? If, as part of the controlling script, I read the dissolution rate for Min A at the current time step and use that to calculate a new rate constant for Min B, will that work? I assume here that at each time step in REACT, both Min A and Min B are run and the existing "React_Output..." file is updated to the current time step...correct? If so, can I interrogate that file and extract the last reported value for the dissolution rate and use it in the calculation of a new rate constant for Min B (i
  27. Hello Elena, I have reset your license in our system so you can try to activate again. If possible, please try to deactivate your license in the future before performing maintenance or replacing your machine. That way, there will be no delay with reactivation. Best regards, Jia Wang
  28. Hi Jia, Thanks for the clarification. Andrew
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