Eric Sonnenthal's Profile - TOUGH User Community

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Re: How to create meshes with local grid refinements
Hi Fernando, Yes, the TOUGH codes can handle fully unstructured 3-D Voronoi meshes. In fact, it can handle virtually any geometry mesh, however, whether it is a "good" mesh for the problem is…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 2 yrs ago
- Pre & Post Processors
- Reported - view
Re: How to create meshes with local grid refinements
Hi Alejandro, You can do many types of grid refinement with TOUGH-code meshes (actually layers do not have to be constant thickness, unless perfect orthogonality is desired).…
Attachments
- TOUGHREACT Developer
- Eric_Sonnenthal
- 2 yrs ago
- Pre & Post Processors
- Reported - view
Re: 3D Visualization Software
I use ParaView and Visit regularly to make excellent 3-D plots. I typically use Paraview to create the vtk files of the individual time steps from the tecplot files,…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 2 yrs ago
- Pre & Post Processors
- Reported - view
Re: Radioactive chain decay
Hi Kaveh, Yes, radioactive decay chains in the aqueous phase can be modeled using the "Aqueous Kinetics" option in chemical.inp. I've attached an example of 226Ra going to 222Rn.…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 2 yrs ago
- TOUGHREACT
- Reported - view
Re: Tuning diffusion coefficients for water isotopes
Hi Tyler, I set up a modified 2-block problem that only involves evaporation of the top soil block and diffusion into the atmosphere fixed at 0.4 RH. The grid and hydrologic properties are a little…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 2 yrs ago
- TOUGHREACT
- Reported - view
Re: Tuning diffusion coefficients for water isotopes
My spell-checker changed Lasaga to Lasagna!
- TOUGHREACT Developer
- Eric_Sonnenthal
- 2 yrs ago
- TOUGHREACT
- Reported - view
Re: Tuning diffusion coefficients for water isotopes
Hi Tyler, Regarding the factor, I was comparing the saturation in the top soil block at time=0 to time=1 year, and then the same for the sum of the isotopes.…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 2 yrs ago
- TOUGHREACT
- Reported - view
Re: Tuning diffusion coefficients for water isotopes
Hi Tyler, I forgot to answer your question about the approach to match diffusion coefficients by modifying the molecular diameter. This seems perfectly valid.…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 2 yrs ago
- TOUGHREACT
- Reported - view
Re: Tuning diffusion coefficients for water isotopes
Hi Tyler, Very interesting problem! Thanks for sending the input files. I will take a look at the cases. I think the first thing is that the molecular diffusion coefficients for the isotopologues in…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 2 yrs ago
- TOUGHREACT
- Reported - view
Re: TOUGHREACT compilation using gfortran MinGW-error message
@Kyung Jae Lee Hi Kjung Jae, TOUGHREACT is the only TOUGH-family code using OpenMP, which is very efficient and speeds up the chemical reaction calculations (which often account for 90% or more of…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 2 yrs ago
- TOUGHREACT
- Reported - view
Re: TOUGHREACT compilation using gfortran MinGW-error message
@Kyung Jae Lee Hi Kjung Jae, This likely a result of trying to compile under one operating system and running under another. I've passed along this issue to Keni Zhang,…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 2 yrs ago
- TOUGHREACT
- Reported - view
Re: TOUGHREACT compilation using gfortran MinGW-error message
@Kyung Jae Lee Hi Kyung Jae. I think the warnings are ok. I've never used MinGW, but it just looks like the error is a compiler option problem. The gfortran makefile I created was tested on a Mac,…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 2 yrs ago
- TOUGHREACT
- Reported - view
Re: Compiling and Running TOUGHREACT v3.32 using Ubuntu/Linux
Hi, Installation of redistributable libraries seems to change every few years. Here is the link for Mac versions:…
Attachment
- TOUGHREACT Developer
- Eric_Sonnenthal
- 2 yrs ago
- TOUGHREACT
- Reported - view
Re: How can I run the example problems in UBUNTU 20.04.2?
Hi Gustavo, 1. Open a terminal window, cd into a folder with input files (e.g., one of the Sample problems). 2. Type (preferably add to your .bashrc file): ulimit -s unlimited 3.…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 3 yrs ago
- TOUGHREACT
- Reported - view
Re: Question on modeling water isotopes – after Singleton et al. (2004)
Hi Tyler, Thanks for sending the files. It is much easier to figure this out if I can run it. I did run it with our latest unreleased version. Can you tell me which code version you used?…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 4 yrs ago
- TOUGHREACT
- Reported - view
Re: Question on modeling water isotopes – after Singleton et al. (2004)
Hi Tyler, I'll have to try and set this up a again, since 2003 is more than a few years ago! There are a few factors that could be causing the discrepancy.…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 4 yrs ago
- TOUGHREACT
- Reported - view
Re: set different diffusion coefficient for different layer
Hi Sue, DIFUN is th molecular diffusion coefficient, rather than the diffusivity. DIFUN is not a function of any hydrological property. The diffusivity is calculated in TOUGHREACT as…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 4 yrs ago
- TOUGHREACT
- Reported - view
Re: set different diffusion coefficient for different layer
Hi Sue, It's not clear to me what you are trying to model. Is it different different effective diffusivities/dispersivities in each layer or different molecular diffusion coefficients?…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 4 yrs ago
- TOUGHREACT
- Reported - view
Re: set different diffusion coefficient for different layer
Hi Sue, TOUGHREACT V3.32-OMP has the capability to assign different aqueous diffusion coefficients for each primary aqueous species (as a function of temperature).…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 4 yrs ago
- 1
- TOUGHREACT
- Reported - view
Re: where to specify the tolerance of gas transport in tr2.0
Hi Chenming, Gas is defined in several places. In multiphase flow, gas saturation and transport is part of the flow solution and is subject to the Newton-Raphson criterion in PARAM in flow.inp.…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 4 yrs ago
- 1
- TOUGHREACT
- Reported - view
Re: What is the use of 'aquatic complexes'
Chenming, On your last question of why the simulation does not converge, there could be many reasons, so you should start by looking at the chdump.out, the runlog.out, iter.dat, and flow.out.…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 4 yrs ago
- 2
- TOUGHREACT
- Reported - view
Re: What is the use of 'aquatic complexes'
Hi Chenming, The "aqueous complexes" entry in chemical.inp allows the user to specify a specific set of secondary species that are present in the thermodynamic database.…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 4 yrs ago
- 1
- TOUGHREACT
- Reported - view
Re: Compilation TOUGHREACT on Windows using gfortran and Cygwin
Hi Diego, Thanks for posting this! None of use MINGW and Cygwin with TOUGHREACT so this should be helpful to many others. cheers, Eric
- TOUGHREACT Developer
- Eric_Sonnenthal
- 4 yrs ago
- TOUGHREACT
- Reported - view
Re: Problem running TOUGHREACT in Petrasim
Hi, This is a Petrasim issue, since TOUGHREACT (and TOUGH2) will not quit because of an unknown keyword block. You may have put the REACT block too close to the end of MESHM,…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 4 yrs ago
- TOUGHREACT
- Reported - view
Re: Using TOUGHREACT with zero porosity boundary
One more thing. Using "zero" porosity blocks should not be used for the purpose you are intending. This is really for engineered components that may actually have zero porosity (like steel in a…
- TOUGHREACT Developer
- Eric_Sonnenthal
- 4 yrs ago
- TOUGHREACT
- Reported - view

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