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During CO2 sequestration at basalt formation, time step size rapidly decrease

hello, everyone. I am graduated student, during master degree.
I'm constructing simulation model about basalt CO2 mineralization.
I am utilizing TOUGHREACT 1.2.
I want to implement the simulation model of Liu et al., 2019
the goal is perfect implementation about the model, and develop my ability about TOUGHREACT.
But the problem during constructing and performing the model, the YH2Og was observed 1 during boundary water (CO2-dissolved water) injection.
but the pressure was increased highly, 24.5MPa...

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Is this meaning every H2O goes vapor? Thus I think time step size decrease by phase change.
But I decided ICO2H2O=0, the simulation was performed longer period.
I guess the problem was related with CO2 and H2O amount change during reaction.
these are my input files and Thermodynamic DB.

and last question, I feel difficult about redox reaction, So I deleted about Fe species for absence redox reaction.
How can be O2(aq) decided during simulation? 

2 replies

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    • Quinton
    • 10 mths ago
    • Reported - view

    Hi Shin,

    I'm just starting to learn TOUGHREACT and I find myself in a similar situation with many uncertainties and questions. Could you share which specific article by Liu et al., 2019 you are referring to? My Google email is quintonouy@gmail.com, and I would appreciate it if we could exchange ideas and experiences as we both navigate through learning this complex software.

    Best regards,

    Quinton

      • Yonsei Univ, KOR,student
      • jade_cup
      • 10 mths ago
      • Reported - view

       Hi Quinton,

      Thanks to reply my question. I think so that your idea is good for us. I will send to you the specific article. and not Liu et al., 2019, Liu et al., 2022 is right. sorry about the confusion.
      Thanks to your communication.

      Best regards,

      Shin

Content aside

  • 10 mths agoLast active
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