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  1. Yesterday
  2. I now see the difference in the command is really in the direction of the slashes. If the command to read thermo dat uses \ in the path then everything is fine. If it uses / then the file is read in correctly, but the dialog stops working. Peter
  3. Last week
  4. Hello Peter, Thanks for reporting this issue. We are not able to reproduce this issue on our end. Can you provide more context with regards to when this started occurring? Were any settings on your machine changed recently? Can you try restarting your computer to see if that resolves the issue? Best regards, Jia Wang
  5. In any of the programs, when I specify a new thermo database at the command pane or in a script, the "File->Open->Thermo Data" menu item no longer brings up a file selection dialog box. The menu/dialog box work fine as long as I use them exclusively. Thanks, Peter
  6. Hello Andrew, The amount of mineral reported in the output text file is the amount of mineral in the whole system and not per kg of solvent. The g/kg unit in the Gtplot configuration dialog is grams of mineral per kg of solution. If you divide the mineral mass(g) by the solution mass(kg) in the same block from the text file, then it should match the value displayed in Gtplot for that step. For example, I ran the attached input file and looked at the results in the output text file at step #100. The mass of anhydrite is 0.03558 grams and the solution mass is 1.3669 kg, dividing the anhydri
  7. Hello Isaac, If you are prescribing a kinetic mineral reaction, then React is calculating the dissolution and precipitation of the mineral according to the kinetic rate law. The amount of mineral you prescribe for this kinetic mineral is the amount you have included in the Reactants pane is in the system at the start of the simulation. You can also set a kinetic mineral with no initial mass and the mineral can precipitate according to the rate law. You can check by plotting time elapsed vs mineral in Gtplot. For simple minerals, the program adds a small amount of the mineral over the enti
  8. Hello, I ran a very saline water that was supersaturated with respect to a few minerals. I allowed them to precipitate as I cooled the water. The output text file from React shows what and how much precipitated in the "Minerals in system" portion of the file for each temperature step. The units are: moles, log moles, grams, and volume. Are these reported per kg of solvent? When I plot the results using Gtplot with temp as the X-axis and Minerals (g/kg) as the Y-axis, I get smaller values than in the output text file. The solvent mass is 1 kg and the solution mass is much greater (around 1
  9. In React, I have built a fluid in the basis and rock made from kinetic minerals in the reactants pane. From what I can tell, my options in React are to slowly titrate the rock into the fluid, or do a flow-through or flush (neither of which I want). Rather, what I want is to throw my entire rock in the fluid and see what happens after 30 days. How do I do this?
  10. Hello Dave, I have sent a message with regards to resetting the license activation on your machine to the email address that you have listed for the forum. If you didn't receive the message, please check your spam folder. Best regards, Jia Wang
  11. Hello Zixuan, I took a quick look at your input script and surface dataset and here are a couple of suggestions to help you get started. Check to make sure the log Ks in the dataset are in the correct format for reactions written in GWB. You might need to negate the log Ks from the paper if the reaction is written in the reversed direction. For more information on triple-layer model datasets, see section 2.5.2 in the GWB Essentials guide. For surface dataset formatting, see section 4 in the GWB reference guide. I think you would need to provide a SiO2(aq) concentration for you
  12. Got it, thanks. I didn't think to look on the hard drive for the installation folder. The lab reports total alkalinity as mg/L CaCO3, from which we can derive meq/L. In fact, many titration systems don't even get close pH calibration, since technically you can get the result simply following the mV. We have often done exactly as you suggested, computing DIC and comparing to a directly analyzed value, but when doing field studies we usually don't have the luxury of either totally complete analyses, or DIC. Thanks for your help!
  13. Hi, I'm getting a similar error when I try to do the same thing. I tried activating tsfix and it did activate, but I still can't deactivate the actual product license. The error code that I get is: "fixActTransactionSend failed 51311" thanks.
  14. Hello, If your lab analysis reported the pH at the end-point for the total alkalinity titration, you should use that value for the titration simulation. However, if you don't have that information, you might want to figure out if the difference between titrating to the endpoint of pH = 4.5 vs 4.8 is significant for the amount of total carbonates. If the titration ends when the change in pH is greatest, Gtplot can show the results in pH vs. acid added so you can match up your simulation end point to point It might be good to check the carbonate concentration from your titration simulation
  15. Earlier
  16. Hello, I'm putting a reactive transport model together in X1t. The aquifer I'm modeling contains carbonates, clays, and silicates. I'm utilizing custom kinetic rate laws which are sensitive to changes in pH. I have been trying to run simulations using kinetic constraints for all the minerals, but my model has been getting stuck and crashing and/or running incredibly slow. I have read that it is best to avoid simultaneously using kinetic constraints for minerals with greatly differing kinetic rates, and it is a better approach to instead set the more rapidly reacting minerals as equil
  17. This is a clever way to approach it, but we wouldn't know the pH of the equivalence point exactly. However, it would make sense that as an approximation you could figure out from the total sulfate, total phosphate (assuming orthophosphate), total silica, hypochlorous acid/hypochlorite (would have to add as weak base but it's problematic for redox because of frequent disequilibrium conditions), ammonia, etc. to approximately the range of the carbonic acid equivalence point. This could be figured out in principle (the way the USGS programs used to do it) by subtracting the meq/L of the acid/ba
  18. Hello Andrew, Adding a trailer command "temperature = 80" should work. Perhaps the change wasn't saved? Can you double check in the Options dialog by clicking Apply or Ok? After adding the trailer command, did you recalculate calcite saturation? The spreadsheet won't automatically update so you have to trigger the recalculation by right clicking on calcite and select 'Recalculate Analyte'. If this doesn't help, please attach an example GSS file so we can take a further look. Hope this helps, Jia Wang
  19. Hey, I'm a new one to learn use GWB to reproduce results of Michael Essington(2017), Adsorption of Antimonate by Kaolinite, especially the part of antimony and phosphate. There are several questions. 1) As for SiO2(aq), what should I deal with this entry? I have swapped Al3+ to kaolinite in 10g/L. But I don't know how to set a concentration for SiO2. I tried to set a ratio of 1 for SiO2:Al3+, is it right? 2) And when I run the program, such problems would occur. Solving for initial system. Swapping >AlOH2+ in for >AlOH Swapping >SiO- in for >SiOH Newto
  20. Hello, I have a number of samples in GSS. I would like to calculate the saturation index (SI) of some minerals for all the samples for a few temperatures...i.e. calculate the SI of calcite for all samples at 25C, then 50C, etc. I have GSS set up so that calcite SI is an analyte to be calculated. I know I can manually enter the temperature for each sample in GSS and re-calculate the calcite SI. But, I am hoping that I can use a header or trailer command (under Analysis>Options) so that the new temperature applies to the SI calculation for all samples. I didn't find anything in the manual or
  21. Hi Jia, Thanks for the reply. It turns out I had a few settings set up kind of wrong. But, ultimately, I determined that the reason the software kept crashing (without reading any errors - just closing down) was because my CPU was slightly overclocked. I returned my CPU to factory settings, then the software now runs the models! Not sure how that works. Cheers,
  22. Hello Brent, I am made a mistake in the above post. The example for the rate law script is in section 5.2 Rate law scripts and not section 5.1. Best regards, Jia
  23. Hello Brent, Unchecking the precipitation option disables any new mineral from precipitating but if some amount of the mineral is in the system initially, it will precipitate or dissolve according to thermodynamics and the kinetic constraints prescribed. The critical saturation index parameter is used in mineral nucleation calculation, that is if your system initially contained none of the kinetic mineral, then the program uses the nucleus density and crit SI values to calculate initial mineral precipitation. With a kinetic mineral reactions, you can use a custom rate law to specify
  24. Hello Johan, The release candidate is a fix to the issue of dataset opening incorrectly if the file contains tab characters. If this is the issue you're experiencing, the release candidate should be a good fix for you. We do not have another release update to GWB 2021 currently. If the release candidate didn't resolve your issue, please attach your thermo dataset or send it to support@gwb.com so we can take a closer look at the issue. Please also include screenshots of any error messages you encountered. Best regards, Jia Jia Wang Aqueous Solutions
  25. GWB2021 does not want to open TEdit and GSS files created in 2020. It states that it is up to date. Should I also try the above installer or is there another update available?
  26. Hello, New to GWB here! I have a system where chlorite (Clinochlore-14A) is allowed to dissolve, but not precipitate. I am wondering how to set this up in REACT. I tried setting the critical SI to an arbitrarily high value (99999), but that doesn't seem to work. I also went through Config --> Iteration, and unchecked precipitation, but that didn't make a difference in the model either. Attached image is the trend in chlorite abundance of the system, with crit SI set to 9999 and precipitation turned off. In the first 50 years, chlorite is dissolving, in the later years, it is pre
  27. Hi Karen, You're welcome. I am glad to hear that you find Rxn useful in your work! With regards to your confusion, I think I have a bit more information to offer. I revisited the Austin_Chalk_As.x1t script and tried to run it again. I ran into an issue where the NO3- concentration in the initial pane wasn't constrained so I used the value of 5.5 mg/l that was commented out. I also changed the balancing ion to HCO3- for the inlet fluid to help with convergence, since there was quite a bit more HCO3- in the fluid than Cl-. I ran this simulation for just several days and saw that Fe(OH)3(pp
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