SMCO2 is not increased


I am using Toughreact v3 for simulation for CO2 injection and our simulation runs well, however, CO2 is not mineralized after the simulation has finished. 

However, we have a simulation final results for minerals and other parameters.

Does anyone can have a look at it, please. 


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  • Try setting up the ICO2H2O flag in the solute.inp file to 1 or 2.

  • I am not able to run the sample problem 5 with ICO2H2O set to 1 or 2.  Has anyone else found a resolution to this problem?

  • Hi Bobby, Allison,

    SmCO2 may not have worked in some of the older versions. You can always sum up the CO2 added to minerals and in solution from the tecplot output files. Regarding ICO2H2O, while it ran in V2, it was not accurate. Then we improved it to be more accurate, but it ICO2H2O =1 or 2 overestimates the amount because of speciation in the fluid. so we added ICO2H2O=3 to consider just sources/sinks from minerals.  ICO2H2O =1 or 2 also made it very difficult to run. We have had some discussion as to this option,  but I think ICO2H2O=3 is the right option because it only considers the effect of minerals on co2 and H2O, not aqueous reactions, which don't really remove CO2, just change it from one species to another (e.g. HCO3- to CO2(aq)).



  • Hi Eric, thanks for the quick response!  I am using TOUGHREACT v4.13 and seeing SMCO2 values of 0 using the Problem 5 example that came with the simulation (and also one that I created in PetraSim).  I wasn't sure if ICO2H2O had to be >0 for SMCO2 to be output?  Or, if this is a separate problem?  I had not experimented with  ICO2H2O=3.

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