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TOUGHREACT ECO2N

1D

I want to use TOUGHREACT V3.0 ECO2N simulate the mineral changes caused by the co injection of different concentrations of SO2 and CO2, mainly observing gypsum precipitation. However, when I changed the concentration of SO2 as a trace gas, the gypsum precipitation did not change. May I ask if this is caused by unreasonable setting of gypsum mineral kinetic parameters, incorrect writing of SO2 injection position, or other issues? Thank you for providing me with any help. I have attached my file to it. In addition, I saw in the literature that it is possible to inject SO2 and water as dissolved substances together. How is this achieved？

11 replies

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    • Efenwengbe_Nicholas_Amin
    • 1 yr ago
    • Reported - view

    Hello 

    @huhaiping you did not specify gypsum as part of the primary/secondary minerals.

    Nicholas

    • Efenwengbe_Nicholas_Amin
    • 1 yr ago
    • Reported - view

    Hello @huhaiping,

    With little modifications in your input files (flow.inp - GENER, deleted Meshing block as well as ELEME and CONNE, and eventually deleted GENER block from flow.inp as soon as GENER file was created; chemical.inp - used lower cases and single quotation marks for the chemicals and minerals; solute.inp - default chemical block indices [0s and 1s] re-ordered), I could run you model on Toughreact v4.13. I think it should also run using version 3.32, maybe slight modifications. However, as you didn't include gypsum as part of the primary/secondary minerals in the chemical.inp file, gypsum precipitation was not observed. Could you please include gypsum with its properties in the mineral section of chemical.inp file.
    Thanks.

    Nicholas 

    part4
      • huhaiping
      • 1 yr ago
      • Reported - view

      Efenwengbe Nicholas Aminaho Hi, thank you very much for your reply. Actually I have set gypsum in the initial mineral, because of the temperature 75℃, I think the presence of gypsum is anhydrous, i.e. anhydrite. precipitation also occurs after injecting a small amount of SO2, but changing the injection concentration will not have an effect on the precipitation, which makes me confused.

      Thanks，

      Hu Haiping

      • Jinyong_Zhang
      • 1 yr ago
      • Reported - view

      Hello Efenwengbe Nicholas Aminaho,

      I have tried your case, but the SMCO2 in the CO2trap_tim.out file is always 0, which is the same result when I tried other cases. Later, I tried to change ICO2H2O to 1,2, or 3, but the simulation quickly interrupted. How do you do to get the ideal SMCO2 when you use TOUGHREACT v4.13? 

      Thanks,

      Jinyong Zhang

      • Efenwengbe_Nicholas_Amin
      • 1 yr ago
      • Reported - view

      Jinyong Zhang 
      I am experiencing the same problem with my simulations and have not figured out the solution yet.

      • Jinyong_Zhang
      • 1 yr ago
      • Reported - view

      Efenwengbe Nicholas Aminaho 

      Thank you very much for your reply, which makes it clear that this is not just a problem for me.

      Regards,

      Jinyong Zhang

    • Efenwengbe_Nicholas_Amin
    • 1 yr ago
    • Reported - view

    Hello huhaiping,

    Thanks for the clarification. I am working on a similar project. 

    Regards,

    Nicholas

      • SmallforceChou
      • 7 mths ago
      • Reported - view

       

      Hello, I also encountered the same problem recently, may I ask if you have solved this problem?If solved Can I see your input/output file? And as shown in the picture, 0.02 represents the volume fraction of sulfur dioxide in the gas when carbon dioxide and sulfur dioxide are injected at the same time？

    • SmallforceChou
    • 7 mths ago
    • Reported - view

    Hello, I also encountered the same problem recently, may I ask if you have solved this problem?If solved Can I see your input/output file? And as shown in the picture, 0.02 represents the volume fraction of sulfur dioxide in the gas when carbon dioxide and sulfur dioxide are injected at the same time？

    • TOUGHREACT Developer
    • Eric_Sonnenthal
    • 7 mths ago
    • Reported - view

    Hi,

    It is the mole fraction (or for an ideal gas, the volume fraction) of the carrier gas (.g., CO2). It is described in the TOUGHREACT v4 User Guide:

    "For injection (boundary) gas zones, GASPP is given as mole fraction of the injected gas composition. Note that the mole fraction of the injected gas species is always relative to the moles of the carrier gas (e.g. CO2, H2O, etc.) chosen in GENER."

    Eric

      • SmallforceChou
      • 7 mths ago
      • Reported - view

       I would like to ask what figure SO2 means? Why is the mole fraction greater than 1?thanks.

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