MBOTZ

I'm trying to recreate a pH-concentration diagram for Cu+ / CN- using Act2 with the Minteq database (I've also tried my own personal database but get the same results). See the attached diagrams. I can closely recreate this with a different software, but not with GWB. It seems GWB is not speciating the Cu-CN species vertically, like the other two diagrams. How can I fix this? Another question: for a specific log a CN- value in Act2, does this refer to the total activity of all CN- in solution regardless of the species containing CN-, or is the activity only for the single CN- complex and the total amount of CN- is varied with the other species in solution so that the ion CN- has the specified activity? Thank you!

I noticed there are some Redox reactions in the LLNL database that are actually in the Minerals portion of the database, rather than in the Redox portion of the database. For example, there is the Au+++/Au+ Redox reaction, but then there is also the Au/Au+ (Gold/Au+) reaction (a redox reaction) in the Minerals portion of the database. I see this same thing with some species in the Aqueous Species portion of the database (e.g., Hg (aq)/Hg2++). Does GWB treat the redox reactions differently if they are in the Redox portion of the database vs. in the Minerals or Aqueous Species portions of the database? Thank you!

Hi Jia, I am running the GWB plugin for React using the APL programming language. Normally everything works fine but occasionally there must be an error encountered in React and my simulation just stops with no data to retrieve. Is there a way to query the React results to obtain a text message describing the cause of the calculation error? Thank you!

Thank you Jia. I've re-installed GWB as Administrator. The problem is still the same when opening existing and new Gtplot files, both with and without my antivirus activated. But I have found a workaround: If I open the Gtplot window from React, a non-functional Gtplot window opens (just as before). If I hover my mouse over the Gtplot icon in the taskbar, a small Gtplot window will appearCu-CN Test.rea, then if I right click on the small Gtplot window, then Gtplot works. I have attached a React file, _conf file and _plot file for reference. React_plot.gtp React_output.txt gtplot_conf.gtc

Sorry for the long delay Jia. I encounter the problem with both new and old React result files. I just created a new React file and tried to launch Gtplot, and Gtplot opens but seems to lock up. The window appears but no graphs and none of the Gtplot menu functions are accessible. If I click the X to close the window, nothing happens (it doesn't close). I can only close from the taskbar. I moved the React file to another folder on my C drive to try again, and the results are the same. Gtplot will also not open from the main GWB start menu. I tried also to launch Gtplot from SpecE8, and the results are the same - Gtplot opens but is locked up and no graphing appears. I did find that if I repeatedly try to open Gtplot, that every once in a while (1 time in 10-20 tries) it will open correctly and plot my results. I've tried to open Gtplot from the Results pane, from the main GWB start menu, and directly from the output files "React_plot" and "gtplot_conf", but none of these works.

I just updated to GWB 16 and now I can't get Gtplot to work. It opens but the window just appears to be frozen and there is no function. I uninstalled and reinstalled GWB, but this didn't fix the issue. Can you help me?

Thank you Jia! Dragging from the Results tab worked perfectly.

Hi Jia. I attempted to use the Pickup command and drag/drop the React results into GSS. In GWB-React I am reacting NaOH into water to form a concentrated solution. I then use Run-Pickup-System-Fluid, and the Basis pane is populated with results from the reaction path. I then right-click on the Basis pane and drag the results to a GSS sample, and GSS is populated with the results. During the drag-drop, the units from GWB-React are automatically converted into the units specified in GSS. When I check the concentration of Na+ (for example) they are different between GWB-React vs. GSS. In GWB-React, the concentration of Na+ is reported to be 172,524 mg/kg after Run-Go ("report concentration Na+ mg/kg"). After performing Run-Pickup-System-Fluid, right-clicking and dragging/dropping the results from the Basis pane into GSS, the concentration of Na+ in GSS is shown as 197,742 mg/kg. There are also similar discrepancies in the concentrations of other species. I have attached the two GWB files that I'm working with. Thank you. IR+NaOH.rea Itapirucu River Water.gss

I am using React with several reactants added to the system. At the end of the run, I then use Run>Pickup>System>Entire to pull the final results into the Basis pane as a new starting point. However, the units for the basis species are all changing to mol and free molal - I started the system originally with units of mg/kg. Is there a way to specify the units that apply when using Pickup? Or, is there a way to automatically change/convert the units after picking up? Thank you.

I've attached the spreadsheet where various output data from the model has been collected. I extracted the masses of constituents in the final system using a variety of commands, and you'll see the mass balance deviations that I've calculated from each approach. The mass balance deviations seem to all involve the H2O mass. I've extracted the H2O mass using "report Wmass g" and "report mass H2O g". I have also extracted the masses of all the elements for comparison to the input. Depending on the command used for extracting the final system masses, the mass balance deviations are 0.00000000%, -0.00000080% and 0.00001426%. Probably I just need help understanding the H2O input/output specifications. Thanks Jia! Cu Mass Balance Test.xlsx

Cu Mass Balance Test.rea I am checking the total mass in a REACT system for the total original specified mass (basis input) in comparison to the total mass of species after running REACT. It is a simple system of dissolving CuSO4 into water. The total original mass specified for the system (aqueous + minerals) is 1001.0000001 grams. When checking the final mass in the system, there is a small difference of around 0.001 to 0.0001 grams (depending on which commands I use to report the masses in the final result). I've attached the REACT file. Could you run this file and check the original vs. final total masses in the system? They should be the same?

Thank you Jia. If I understand correctly, it is not possible to react a fixed mass of gas until its saturation is reached in the solution. The options are 1) all of the gas will be added to solution regardless of its solubility, or 2) a fixed gas partial pressure can be specified and this will be absorbed into solution up to its solubility. Is this correct?

I am trying to react a fixed mass of gas with a solution. For example, I'd like to add 1.00 gram of oxygen gas to the system, to determine how much of the 1.00 gram will dissolve into the solution. Only a small amount would dissolve into 1.00 kg of H20. But REACT is adding all of the oxygen into the solution, regardless of the actual solubility limit of O2(aq). How can I limit the amount of O2 gas that will dissolve into solution according to the solubility? I don't want to fix the fugacity, since there is only a limited supply of oxygen gas. This would be similar to reacting a mineral, where some portion dissolves (according to its solubility) and the remainder of the mineral stays in the solid phase. Thanks.