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Aigerim

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  1. Dear Alison, I sent the simulation file by email. Can you please have a look? Thank you.
  2. What do you mean by "without chemistry"? How to disable it?
  3. Dear Alison, I am back here with other questions Thank you for your previous reply, I understood regarding chemical compositions and now would like to ask about time steps. When I run a simulation for monitoring for 1000 years (with no co2 injection), the following message is shown, not allowing to finish the simulation: What does this mean? I tried to give lower time steps, but the simulation still does not go till the end. How can the time step and max time steps be adjusted? Due to the limit of files being attached, the simulation file cannot be attached here. I will send it in the next reply. Thank you. Regards, Aigerim
  4. Hello, Alison, Thank you for your previous reply. We have created a PHREEQC program where we equilibrated minerals and initial water composition and got the results. Now we have two questions: 1) In the output file, water is obtained with the following molality. Since the species' amounts should be in mol/kg of water, we have seen that water amount in Toughreact simulation should be 1.0 mol in "Water zone" input data. Is it really so? So should we divide the molalities here by 5.553e+01? For example, would the amount of Al in "Water zone" be 1.153e-08/5.553e+01 or should we take them as they are? 2) Are we right thinking that CGUESS value of Al+3 (ions), for example, here 1.329e-12, but CTOT value is 1.153e-08? (Or based on the 1st question, divided by water amount)? Then what CGUESS and CTOT values will be for H+ species given only the output data shown above and the following one: Thank you. Regards, Aigerim
  5. Excuse me, Alison, We resolved the issue with the database and now have faced some other challenges due to which we cannot obtain the results. Could you please have a look at the file? ccs_example_1_2_new.sim
  6. Oh my God, I forgot specifying zones! Thanks, Alison! Yes, I actually need SO2 (aq) and Fe+3 for pyrite's additional mechanism. But when I found and selected from aqueous complexes, the runlog file said that these compounds are not found in the database even though they are there. That is why I deleted them from aqueous complexes, but according to you, we cannot ignore them and need to specify. Why is it so? I am using thermodb.txt thermodynamic database.
  7. Dear Alison, I am thankful and appreciate your help to solve the problem. I rebuilt the model using the Toughreact v.1.2. I got the output files, and there seems to be no error in the runlog and flow.out files, but the simulation still does not run. Could you please look at the file and check if there are results? I am attaching it below. Thank you. Regards, Aigerim ccs_example_1_2.sim
  8. I believe I followed your recommendations accordingly. However even though I followed the procedure well, I could not get the runlog.out and flow.out files. The PetraSim file from drive C (C:\Program Files\PetraSim 2020\tough64\treact_v3\ccs_example) does not run saying that "Access is denied" and is not creating output files but only input files. Have not I understood you perfectly or still there is a problem with the simulation file?
  9. Thank you for your fast reply, Alison! No, the flow.out file does not exist. The petrasim file is attached below. Regards, Aigerim ccs_example.sim
  10. Good day, I am working on a simulation on CO2 sequestration in ToughReact using PetraSim. I faced the problem with simulation files, especially runlog.out and flow.out. If I go to the Cell History Plot and 3D results, I can see some graphs and change of parameters in 3D as attached. However, the simulation itself does not run and it shows the window with following: "Simulation halted prematurely. See: runlog.out and flow.out". When I click on the runlog.out file, it shows a warning in the notebook file. However when I click on the flow.out file, it does not open anything. All the screenshots are attached below. Hope for your help. Thank you. Regards, Aigerim
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