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Jia Wang

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Everything posted by Jia Wang

  1. Hello, Could you provide more details regarding the issue that you are having in release mode? When you say that it is not giving mineral the mineral saturation results, were you able to retrieve any other results? Were you able to run a speciation calculation using the GWBplugin in published mode at all? What version of Visual Studio are you using? Is the error you are encountering in #2 related to #1? Please provide more detail. The ChemPlugin is a separate product from the GWB Plugin, specifically the SpecE8 plugin. The ChemPlugin can also solve for mineral saturation but is much more powerful than the SpecE8 plugin. The GWB plugin does not call the ChemPlugin dll. Your team has spoken with our staff previously and determined that the Essentials Edition is the most cost effective solution at the time, which does not include ChemPlugin. We typically prefer to answer technical questions via the Support Forum. I can pass your request onto our team. Would it be possible for you post to your questions so I can pass them along as well? Best regards, Jia
  2. Hello Frank, Thanks for checking the environment variables. The file path returned for your python installation looks a little unusual. Has your python installation changed recently or since you last successfully used the software? Some python installation (e.g. Python from Window's App store) may have security limitations and prevent it from working properly with the GWBplugin. We recommend downloading the Windows installer, either 32-bit or 64-bit depending on your GWB installation, from Python's webpage. Here are some steps to help diagnose the issue on the python side. Can you please open the command prompt, enter 'python', and then enter the following commands? import os,sys print(sys.path) print(os.listdir('C:\\Program Files\\Gwb\\src')) print(os.environ['GWB_BIN_PATH']) print(os.listdir(os.environ['GWB_BIN_PATH'])) Please let us know what you get. Best, Jia
  3. Hello Hamid, I am sorry to hear that you are continuing to have issues with your installation. A couple of additional things for you to try. When you performed the troubleshooting steps, did you try running the dashboard (Workbench.exe), an app directly (e.g. SpecE8.exe in Gwb folder or from the Windows menu), or an input file (e.g. Freshwater.sp8 in the Scripts folder) with the "Run as administrator" option? Some troubleshooting steps may require restarting the computer to take effect. Could you try restarting your machine after each operation? In your GWB Activation Utility, could you try deactivating and reactivating the code to see if that changes the status on your dashboard? Or, does that affect you opening the apps directly? The general troubleshooting tips will help to resolve common issues. If these steps do not help, then the issue is likely something specific to your machine. Since your software had initially worked correctly, has there been any updates or changes to your machine since it last worked? Hope this helps, Jia Wang Aqueous Solutions LLC
  4. Hello, The program accepts many different units for basis entry. The "as" syntax is not used quite correctly in your examples. You can find the correct syntax in the GWB Command Reference under SpecE8 Commands section. The "as" keyword can be used to constrain mass in terms of elemental equivalents or species equivalents in protonated or deprotonated forms. You cannot set a concentration in terms of a species unrelated to the component such as CO2(aq)) for HS-. Hope this helps, Jia Wang Aqueous Solutions LLC
  5. Hello Frank, I am sorry to hear you are having issues with Python. This sounds like your environment variable is not set correctly. You can set the environment variable path directly or have it done for you by rerunning your GWB installer. You can find resolutions for similar issues on our Python Plug-in Support section. Section 7.3 Python in the GWB Reference Manual also provides the syntax to set path to the GWBplugin in your script if you did not check "Set PATH and PYTHONPATH" when you ran the installer. . Hope this helps, Jia Wang Aqueous Solutions LLC
  6. Hello Frank, Thank you for reporting this issue. This is a bug in GSS and I have forwarded it to our technical staff for further investigation. I apologize for any inconvenience this may have caused you. As a temporary solution, could you please try changing the Category type for your isotope analytes to see if the same crashing issue persists? For example, when I set the Category type to 'Chemical parameters' and kept the Dimension as 'Number,' I encountered no issues with plotting the data. In this case, the isotope entries can be found under the Variable type "Chemical parameters" in Gtplot, rather than Isotopic composition. If you continue to experience issues after changing the Category type, please send us a simplified version of the GSS spreadsheet so we can investigate further. We will provide an update on this thread once a solution is available for the crashing issue. Once again, I apologize for any inconvenience caused. Best regards, Jia Wang Aqueous Solutions LLC
  7. Hello Gregg, I compared the two input files attached and I see some slight differences between them. In your SpecE8 input file, the concentration for Fe+++ is set as a free quantity but in React, a bulk concentration is set for the same component. A free quantity sets only the concentration of the the free Fe+++ in solution and the software will calculate additional dissolved concentration of Fe+++ in other aqueous species at equilibrium. Please see section 7.2 Equilibrium models in the GWB Essentials Guide for explanation on free vs bulk constraints. Another difference is that Cl- is set as the charge balancing ion in the React script, while SpecE8 has charge balancing disabled. In React, Cl- is set as the balancing ion by default when present, you can turn off charge balancing by selecting on the unit and check "Do not balance". Alternatively, you can set Cl- as the charge balancing ion in SpecE8. Please see 2.3 Initial system of the GWB Reaction Modeling guide for more information. Note that in React, if the initial system contains supersaturated minerals, and the precipitation option is enabled, there will be two blocks of output in your text output file. In the first block, the calculation represents the fluid's metastable state. In the second block, the program continues to calculate the equilibrium state of the system assuming supersaturated minerals were allowed to precipitate. SpecE8 does not calculate mineral precipitation. Therefore, when comparing results between React and SpecE8 using the same input constraints, you should look at the initial block of the React output file. Hope this helps, Jia Wang Aqueous Solutions LLC
  8. Hello, The ChemPlugin.dll is not included in the GWB Essentials package. This dll is only included in the GWB Professional Edition or in the stand-alone ChemPlugin SDK. Do you mean to call the GWBplugin.dll instead? The GWBplugin is included in all paid versions of the software. Please see the Plug-in chapter in the GWB Reference Manual for more information on the GWBPlugin. Please note that the GWBPlugin and ChemPlugin are not the same. Hope this helps, Jia Wang Aqueous Solutions LLC
  9. Hello, This means that no information regarding the molar volume was provided in the original dataset. Note that The GWB does not maintain reactions in databases. You can find more information regarding the origin of the database under the Header pane if you are looking at the dataset in the TEdit application. The program uses a default density of 2.65 g/cm3 and the molar mass of a mineral to calculate a molar volume if one is not provided. You can see the molar volume for the mineral of interest in the run if you go to the Config menu -> Show.. Configuration for sorption sites are specified in the surface dataset. Please see the Reference Manual for chapter on Surface Datasets for more information. If you are referring to other issues, please specify so we can better assist you. You can search literature to obtain a molar volume measured by others for Montmorillonite. There are various end members of Montmorillonite that do have a molar volume in databases installed with The GWB. They might be a good starting point for you. Note that molar volume will depend on the stoichiometry assumed for a montmorillonite mineral; different databases or literature sources might use very different stoichiometries. Hope this helps, Jia Wang Aqueous Solutions LLC
  10. Hello, It looks like you are printing a floating point value with 4 significant digits to the right of the decimal. The values are reported for Q/K is very small. Could you try to increase in the number of digits on your returned value? Or print your value in scientific notation in C#? Hope this helps, Jia Wang Aqueous Solutions LLC
  11. Hello Peter, Thanks for attaching your file and the reaction. I think one of the issues lies in how the chemistry of your organic carbon is set up in your model. The amount of phenol in solution is so low in comparison to the other forms of carbon in this case, where a majority of the concentration is in the form of inorganic carbon species. If you decouple the Phenol and HCO3- redox pair, you can set a kinetic redox equation for the pyrite precipitation. This way, the amount of phenol can remain stable in your system. I would suggest that you start troubleshooting with the kinetic reaction in a single node system in React. When the chemistry looks correct, then you can move your reaction to the reactive transport apps. Hope this helps, Jia
  12. Hi Gregg, I didn't notice that you had initially multiplied the concentration in units of mg/kg. That's not correct for calculating the activity. The activity if the product of the concentration in molality multiplied by the activity coefficient. You can verify the log activity value in the SpecE8 output text file by taking the concentration (in molality) and activity coefficient for each species. Based on the results you provided, the predominant species is Fe++. In that case, you should probably use the activity of Fe++ as your diagramming species. Best, Jia
  13. Hello Greg, You can multiply the concentration by the activity coefficient to get the species activity from text output file. Alternatively, you can open the plot output file (with the extension .gtp) and plot species activity. To obtain the value from the plot, you can go to Edit -> Copy and paste into a spreadsheet. For more information on plotting configuration, please see section 8 Using Gtplot in the GWB Essential Guide. Hope this helps, Jia
  14. Hello, To follow up with some clarification, the GWB plugin and ChemPlugin are not the same. The ChemPlugin self linking software object is included only in the Professional Edition of the GWB. The Essential Edition includes the GWB Plugin. Best, Jia
  15. Hello, If you need to run your project in debug mode, you must attach a debugger after the initialize call to GWBplugin, otherwise your program will encounter a run-time error. Please see the Plug-in Feature chapter in the GWB Reference Manual for more information. You can access any of the GWB user guides and reference manual in the Gwb folder where you installed the software. If you are looking for example SpecE8 scripts, you can look in the Gwb -> Scripts folder for input files that end with the extension .sp8. Hope this helps, Jia Wang Aqueous Solutions LLC
  16. Hello, You can right-click to drag and drop the Results or the Basis pane from React into GSS. There's no way to do this automatically over multiple React files. Please see more details in section 1.7 Drag and drop feature in the GWB Essentials Guide. Another option is to parse multple plot data output files at the last time step to an excel spreadsheet and then copy the data to GSS. You can set React to the output human readable xml plot files (with extensions .gtp) by using the command "plot = character". Hope this helps, Jia
  17. Hello Gregg, In order to plot a dataset on an Act2 diagram, the x and y axis variables must appear in your Gss dataset. Act2 uses what's present to figure activity ratios, if that's what is prescribed on your axis. If your axes are Eh and pH, then you should only need Eh and pH in your dataset for the points to plot. Please see section 5.7 Scatter data in the GWB Essentials Guide for more information and example. Act2 allows you to vary the activity of any aqueous species along the x or y axis. This reflects the activity of a free species and not the bulk component concentration. Activities can only be calculated for free aqueous species. If you want more information on how SpecE8 calculates activities and activity coefficients, please see section 7.4 Activity coefficients in the GWB Essentials Guide. Hope this helps, Jia Wang Aqueous Solutions LLC
  18. Hello, For details on how setting up different units can impact the final results of your simulation, see Chapter 2.7, Initial Conditions, in the GWB Reactive Transport Modeling Guide. Hope this helps, Jia Wang Aqueous Solutions LLC
  19. Hello Kush, I am glad you are finding GWBPlugin helpful. An instance of GWBplugin can only accept one X1t script at a time. You can program a Python script to run multiple X1t input scripts sequentially if you like. You can run multiple python scripts that call the GWBplugin at the same time, however, the reactive transport apps are already multi-threaded to take full advantage of all cores available on your machine. You can see Chapter 2.21, Multicore Execution, in the Reactive Transport Modeling Guide for more information. A single-node type license can only be activated on one machine at a time. You can purchase multiple single-node licenses to run the software on multiple machines. Another option is to purchase a multi-seat floating license, typically used for serving a group of users across a company network. The number of concurrent users is determined by the number of seats purchased. Best regards, Jia
  20. Hello Karen, Thank you for all the attachments and input files. We are still taking a closer look at the issue. Just a few quick answers to your questions. The explain step and follow output can generally give you some clue about what is causing the issue. In this case, the Q/K limitation of various minerals is indicative of this being a chemistry problem. Since your simulation does run to start, you can always look at the Q/K of various minerals and see if anything stands out. Since you previously inquired about the parameters on the Stepping dialog, it was good to check whether you are having issues on the transport side or the chemistry side. Diagnosing root causes of issues in a reactive transport model can be tricky. Xi the progress variable through your simulation. At the beginning, it is 0 and varies to 1, which stands for the end of the simulation. You can set the maximum value that the program can take by adjust delxi in the stepping dialog. The Co number shown in the Results pane is the grid courant number. This is informs you of the number of nodal blocks traversed by the fluid over the course of a time step. Best regards, Jia
  21. Hello Peter, Thank you for the file. Could you also provide the reaction of pyrite reprecipitation by the reduction of phenol? Best regards, Jia
  22. Hello Peter, Thanks for attaching your file. I wasn't able to run your attached file as is in a reasonable amount of time to test. The initial calculation would begin but at the really small delxi, it would barely progress. I reset the delxi value to the default value (0.01) and shortened the length of your simulation significantly to 1 year so I can see the isotopes in the short term. When I ran it for a short duration, I didn't encounter any output where isotopes didn't have any data. Looking at the isotope result in cross sections, I was able to see some variation in isotope that I think is attributed to the differential flow paths caused by the random porosity distribution. Is there a case scenario that you can attach that runs in a shorter period of time that demonstrates the no data issue? It would also be really helpful if you can also provide the reduction/precipitation reactions with phenol and pyrite. Best regards, Jia
  23. Hi Scott, You're welcome. It just means that the aqueous species will form in even very small quantity based on the mass action law, which is how the program calculates mass distribution. In your example of carbonate ion at low pH, the program will calculate an extremely small amount but CO3-- never do not form. You can try running a speciation calculation in React with your example and look at the various carbon species concentrations. Best regards, Jia
  24. Hello, You're welcome. It sounds like you should set up a boundary fluid that has the CO2(g) fugacity swapped in. In this case, if you want to set the carbonate component in equilibrium with the CO2(g) in the atmosphere, then this is what you should do for the inlet fluid that you are allowing to enter into your system. In your Initial pane, you should set the composition of the fluid in your domain. You can see an example of weathering in the Reactive Transport Modeling guide in section 3.8 of the Reactive Transport Modeling Guide. Your case isn't going to be exactly the same as this model, you can see that the CO2(g) is swapped into rainwater in the Fluids pane to set the atmospheric CO2 condition. In this example, CO2(g) fugacity is swapped into the basis and set to a higher partial pressure value to represent a fluid in equilibrium with a soil gas. I recommend playing with the example and parameters to see how the results change. There are a plethora of other examples of reactive transport models, showing various types of reactions can be set up. In general, you set the initial fluid composition in your domain in the Initial pane. The Fluids pane is where you define the composition of your fluid entering your system and the Interval pane is where you assign them to the inlet. If you want to troubleshoot the chemistry of the fluid composition, I would recommend doing that in React, a single node system application, before trying to put it in a full reactive transport model. Try to always start simple and build up the complexity in your model. Hope this helps, Jia
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