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dirk

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About dirk

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  1. I have run a number of simulations using Toughreact Versions 1.2 and 3-OMP and the ECO2N EOS. In trying to understand the mass balance I have tried runs with 0 entered for ico2h20 and 1 or 2 as well. With the value used as 0, the models run very well. With a value of 1 or 2, the models essentially bog down to very low delta T steps after 30 to 40 years simulation. When run with 0 for ico2h2o the amount of dissolved CO2 and gas CO2 equal the total amount of CO2 added but if you look at the smCO2 and include that, there is often nearly double the CO2 compared to injected after 10000 years. In long term simulations the total dissolved and gas exceeds the amount injected even when not including the precipitated CO2 and accounting for carbonates dissolving. When run using ico2h2o=1 or 2 the total CO2 (gas, solid, aqueous) is equal to the amount injected (after end of injection). What role does the ico2h2o option play in the flow and reaction? So the question is, with ico2h2o = 0 is the precipitated CO2 not being accounted for in the flow model?
  2. When I run simulations in Petrasim ToughReact, I set up the problem then run it with reactive transport disabled to make sure the flow part works. When I do this the writing of aqueous component concentrations is in Solute.inp Record 7 is written with 0 Record 9 is blank. NO matter how I try, in later simulations with reactive transport I cannot get Petrasim to overwrite that. Any thoughts out there? I have tried deleting all of the input files and still doesn't work. Dirk
  3. What does fugcoe_co2(g) mean?

    That is the fugacity coefficient.
  4. I noticed that the concentration of dissoved species decreases in cells that have CO2 saturation >0. I can't figure out why unless the concentration is determined using the species mass fraction and the mass fraction of a species is calculated using the H20 mass plus the aqueous species mass and the CO2 mass when Sg>0. This is an incorrect calculation as the increase in dissolved CO2 should not affect the concentration in mol/kg H20 of any other dissolved species. I'm not sure if I am understanding how the calculations are done but if you look at the output of the test problem for ECO2N that comes with ToughReact or the CO2 example with Petrasim you can see the Cl decreases in cells that have Sg>0 by up to 5% or more. The same goes for all other species if you run without a mineral zone included (no reaction). Am I wrong here? Cheers Dirk
  5. Has anyone figured out how to enter cation exchange data in Petrasim? I notice that you can do everything but enter the data required for the chemical.inp file and if you add the data in the chemical.inp file, Petrasim just overwrites when you start a simulation. Cheers Dirk
  6. EOS7C

    Is Petrasim able to run the EOS7C module for Tough2?
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