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TOUGH-HYDRATE - Problems with the maximum mass fraction of methane in aqueous phase

I'm trying to equilibrate a sloping system, containing a AqH phase and a Aqu phase. If methane mass fractions of methane in water are not maximum, hydrate phase dissolves. So, I want TOUGH-HYDRATE to set the maximum mass fraction of methane values in single aqueous phase. To do that I specify a high value for X_mA, than TOUGH calculates the maximum value and replaces the original value to the maximum:

 

 THE SINGLE-PHASE CONDITIONS SPECIFIED AT ELEMENT "  1 1   " ARE ERRONEOUS

 At T =  1.92981E+01 C, the CH4 mass fraction in H2O "X_mA" = 9.50000E-01 exceeds the maximum =  5.99297E-03 (T-dependent)

 !!! ACTION TAKEN: SET X_mA = Max   ==>   EXECUTION CONTINUES

 

Ok, but after that, TOUGH says that this value is wrong, prints a different value for the maximum mass fraction of methane in water and stops execution:

 !!!!!! "Phase1_Aqu_Eql": Gas phase evolves at element "  1 1   " ==> P =  8.35121719E+06  Peq_Hydr =  2.69476647E+07  X_mA =  5.99297481E-03  X_mA_max =  1.85578449E-03

 !!!!!!!!!!   Routine Phase1_Aqu_Eql: ERRONEOUS DATA INITIALIZATION   ==>  STOP EXECUTION <<<<<<<<<<

 

Why does this happen? Do I have to change something in the code? I use the licenced version 1.0. 

9 replies

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    • George_Moridis
    • 11 yrs ago
    • Reported - view
    I suggest you begin the simulation again, but give a value of 1.855e-3 to the mass fraction (i.e., just a bit lower than the one the code gives you). Try it and let me know. If it does not work, please send me your input files.
    • Cristiane
    • 11 yrs ago
    • Reported - view

    With this value, it works. But the problem is that I have a big grid, so I it's hard to give all values manually (these two messages appear for all the cells setted to have aqueous phase).

    I have a version of the simulator from a course that sets the mass fraction to 99% of the maximum mass fraction and it works properly. But this version has a limit of 3000 cells, less than what I need to use.

    With the licensed version, I think the problem is not only setting the value to 99% of the maximum value (instead of setting to 100% of it) becouse the first message gives a value much bigger than the second one (5.99297E-03 in the first message and 1.85578449E-03 in the second one). When I setted the mass fraction value to 1.855e-3 for the cell 101, the second error message appeared for the cell 102, and so on...

    The input file is attached. 

    Thank you in advance.

    041.dat.dat
    • Cristiane
    • 11 yrs ago
    • Reported - view

    And here, my output file too.

    041.out.out
      • HYDRATE
      • KHS
      • 6 yrs ago
      • Reported - view

      Cristiane are you still working with tough +

      please..let me know

      • Cristiane_Romio
      • 6 yrs ago
      • Reported - view

      KHS Hi! no, I am not. maybe I still can help you. but I do not have much free time and might take a while to answer.

      I read your comment about PetraSim. It is useful only for the generation of blocks ELEME and CONNE. Just copy the other blocks from a ready file and you will only have to change some few parameters accordingly to your needs.

      Good luck! I agree with you when you say there is not much support here :/

      • HYDRATE
      • KHS
      • 6 yrs ago
      • Reported - view

      aren't these sections already generated when you create mesh file?

      petrasim can generate mesh easily, but it can't be exported to be used for running using tough+ hydrate..its in a different format...isn't it?

      am I right?

      • Cristiane_Romio
      • 6 yrs ago
      • Reported - view

      KHS Hi! yes, they can be generated with MESH. I used PetraSim just because it was easier to visualize and to be sure I was fixing the primary variables on the correct blocks :)

      I think the section of Petrasim was called only TOUGH+ and not TOUGH+HYDRATE. Or maybe I used the TOUGH2 section. I can't remember, sorry. But if you can use MESH, just use that, no need for Petrasim. You can not visualize results on it either, you will need TecPlot.

      • Castleberry
      • 6 yrs ago
      • Reported - view

      Cristiane Romio can we visualize the mesh that is made by MM using any software?

      • HYDRATE
      • KHS
      • 5 yrs ago
      • Reported - view

      Cristiane Romio i need your help.

      can u please send me your email id?

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