Eric Sonnenthal's Profile - TOUGH User Community

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Re: TOUGHREACT-ECO2N calculation of fugacity of CO2
Hi Piyali, Did you set a salinity in the INCON? Also, which thermodynamic database are you using? If you send your input files, it will be easier to see why it is higher than you expect.…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 3 mths ago
- TOUGHREACT
- Reported - view
Re: Exothermic reactions
Hi Pierre, Yes, there is an option to simulate heats of reaction from chemistry coupled to energy conservation. You must use one of the "normal" thermodynamic databases (e.g., thermoddem or eq3/6).…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 3 mths ago
- TOUGHREACT
- Reported - view
Re: Injector Fluid w/ Changing Composition
Hi John, Definitely, option 2 will work, because the savechem does not save the injection water composition, just the compositions in the grid blocks. Regarding option 1, that probably will not work,…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 4 mths ago
- TOUGHREACT
- Reported - view
Re: Error with secondary species not found in thermodynamic database
Hi - In some databases H4SiO4 or H4SiO4(aq) is the primary species. This is equivalent to SiO2(aq) but of course involves 2H2O, and the mass is different.…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 4 mths ago
- TOUGHREACT
- Reported - view
Re: The TOUGHREACT V4.13's calculation time is long
Hi Yiming, Not sure which problem you are referring to -- There is no "Deep Salt" Problem 6. If it is running that long, just stop the code. There is probably a nonconvergence.…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 4 mths ago
- TOUGHREACT
- Reported - view
Re: TOUGHREACT ECO2N
Hi, It is the mole fraction (or for an ideal gas, the volume fraction) of the carrier gas (.g., CO2). It is described in the TOUGHREACT v4 User Guide: "For injection (boundary) gas zones,…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 6 mths ago
- 1
- TOUGHREACT
- Reported - view
Re: TOUGH3 installation issue
If that doesn't work, then try just using Intel OneAPI Fortran to compile everything (petsc, TOUGH3, etc.) Recent updates to gfortran make it very difficult to use with Petsc and the TOUGH-based…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 6 mths ago
- TOUGH3
- Reported - view
Re: How can Toughreact V3 data be extracted and input into TECPLOT?
Hi Sunny, Unfortunately TOUGHREACT v3 is 10 years old now, and TOUGHREACT V4 is a major release so it is not a free update for V3 licensees. It may still be a reduced cost for V3.…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 7 mths ago
- Pre & Post Processors
- Reported - view
Re: TOUGHREACT and MODFLOW grid
I don't know what the MODFLOW format is, but since it is finite difference it will not be anything like a TOUGH MESH which is integral finite difference and uses a local coordinate system.…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 8 mths ago
- 1
- TOUGHREACT
- Reported - view
Re: EOS2 non-convergence
Hi -- The flow.inp file you included has the old MESH and INCON. Regarding MINC, there will be separate files created that have a different naming of the elements,…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 8 mths ago
- 1
- TOUGHREACT
- Reported - view
Re: EOS2 non-convergence
@Eric Sonnenthal Regarding "secondary porosity" addition, yes this is a good approach if this is a fractured rock. Including a higher-permeability fracture continuum (i.e.…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 9 mths ago
- TOUGHREACT
- Reported - view
Re: EOS2 non-convergence
Hi - Now that I look at your permeabilities I can see that this is a nearly impossible case to run. 1e-17 m^2 is an extremely low permeability for injection.…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 9 mths ago
- TOUGHREACT
- Reported - view
Re: EOS2 non-convergence
Hi,I ran your problem with TOUGHREACT v4.13 and it does run for some time, but then the time step gets small and eventually the flow fails to converge. It looks like the temperature is dropping at…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 9 mths ago
- TOUGHREACT
- Reported - view
Re: how to set up initial chemical conditions?
Hi Pierre, For reactions with a brine, you should start with an initial measured composition from the field, and enter in chemical.inp. That will provide many of the necessary components,…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 9 mths ago
- TOUGHREACT
- Reported - view
Re: How can Toughreact V3 data be extracted and input into TECPLOT?
Hi Sunny, We did not have full tecplot output for TOUGHREACT v3. The aqueous species, minerals and gases could be written out, but not the data usually written in the flow.out file.…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 9 mths ago
- Pre & Post Processors
- Reported - view
Re: total concentration of sulfate increasing over time
Hi Majid, Quickly looking at your files, I don't see a flow steady-state simulation? First do a flow-steady state with the correct pressure and temperature gradients. I see that XCO2=0 in your INCON.…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 10 mths ago
- TOUGHREACT
- Reported - view
Re: flow.out - residuals and equations
@Majid Trf
- TOUGHREACT Developer
- Eric_Sonnenthal
- 10 mths ago
- TOUGHREACT
- Reported - view
Re: flow.out - residuals and equations
Hi, The equations solved are basically the primary variables, eg. P, SatGas,T, or for ECO2n P, XNaCl, XCO2, T. Regarding automatic timestepping -- that may be ok for some problems,…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 10 mths ago
- TOUGHREACT
- Reported - view
Re: How to show the permeability and porosity changes？
Hi, Did you set up permeability-porosity zones in chemical.inp and then assign the zones to grid blocks in solute.inp? Eric
- TOUGHREACT Developer
- Eric_Sonnenthal
- 10 mths ago
- TOUGHREACT
- Reported - view
Re: How to set reasonable injection rate?
Hi, I can't open these .rar files. If you send a normal zip, tar, etc. file I can open it. There are some different ways to handle infiltration. It really depends on whether the atmospheric chemistry…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 10 mths ago
- TOUGHREACT
- Reported - view
Re: How could charge diffierent boundary water at same model?
Hi, In TOUGHREACT, just put both waters in chemical.inp as injection (boundary) waters (1 and 2), set the IZBW zone to 1 and just run the first 100-50Ma.…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 10 mths ago
- TOUGHREACT
- Reported - view
Re: initialization of water composition
Hi, The chemical inputs may not be possible. You have 7 molal Na+, which is well outside the range of Debye-Huckel. There is 3.53 M so4-2, but the guess is only 6.36E-04.…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 11 mths ago
- TOUGHREACT
- Reported - view
Re: TOUGHREACT1.2/ECO2N: About the inject rate and maximum pressure
Unfortunately, the University of California License for TOUGHREACT does not allow sharing of source or executable versions.
- TOUGHREACT Developer
- Eric_Sonnenthal
- 11 mths ago
- TOUGH2
- Reported - view
Re: About the regular and radial mesh
Hi, Can you tell us what the error is? Is it in the flow or the chemistry? I don't quite see how this would be a grid issue. regards, Eric
- TOUGHREACT Developer
- Eric_Sonnenthal
- 1 yr ago
- TOUGHREACT
- Reported - view
Re: FLOW VECTOR CANCELLING EACH OTHER FOR SOURCE/SINK TERMS
Hi Pierre, I'm not exactly sure what you did here, but will take a closer look. The area-weighting is the dvecta factor, calculated in t2f in the following loop: c.....…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 1 yr ago
- TOUGHREACT
- Reported - view

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