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Compiling and Running TOUGHREACT v3.32 using Ubuntu/Linux
Hey everyone, I've been able to get the newest version of TOUGHREACT working with my workstation, which has Linux/Ubuntu (v 17.04) as its OS. Setting things up didn't go without hitches, though,…
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Lithofacies random fields in TOUGHREACT?
Hi, I am trying to apply random fields both in flow and rock chemistry. I know I can do one for the flow field using permeability modifier (PMX) option equipped in TOUGH2 (flow.…
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Convergence problem with different mesh size
Dear Sir or Madam, Sorry to disturb you. I was running a simple 1D transport model with surface complexation, but it never ends. However, I found it worked when I increased the mesh size from ∆x =1.…
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Convergence problem for the surface complexation model
Dear Sir or Madam, Sorry to disturb you. I am Lang. I created a 1D transport model with surface complexation. I found it could not achieve convergence,…
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Compiling TOUGHREACT V3.0-OMP using Cygwin and gfortran
Hey everyone, I have so far been able to compile all EOS modules of TOUGHREACT V3.0-OMP using gfortran and the Cygwin Windows utility. This was done using the following options:…
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Confused by the choice of boundaries based on the experiment
Dear Sir or Madam, Sorry to disturb you. I want to simulate the 1D contaminant transport using TOUGHTRACT v3.0. My experimental model is the simple constant injection with constant concentration C0…
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Failure of flow.inp in TOUGHREACT v3.0 generated by PetraSim
Dear Sir or Madam, Sorry to disturb you. When I run the flow.inp generated by the PetraSim (TOUGHREACT v1.2) in TOUGHREACT v3.0, and I found it could not work.…
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Modelling the incongruent dissolution
Hi all, I'm trying to simulate CSH(Ca-Si-H2O) dissolution, which is usually considered as an incongruent solubility behavior. I'm thinking how to simulate the reaction of CSH with high Ca/Si ratio…
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Failure restarting Toughreact simulation.
Hi Everyone, I want to run a model with the geochemical data of a previous model. I follow the manual instructions changing the names of the SAVE and savechem files to INCON and inchem.…
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Failure to set up a constant boundary concentration by input a large volume in the first cell
Dear Sir or Madam, Sorry to disturb you. I set up a simple 1-D contaminant transport model using TOUGHREACT v3.0 following the 8.1 Problem 1 – Aqueous Transport with Adsorption (Linear Kd) and Decay…
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Dirichlet and Robin Boundary problem
Dear Sir or Madam, Sorry to disturb you. I am setting up a very simple 1-D contaminant transport model. And I was wondering if I just apply the boundary water with a injection concentration C0 to…
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Postprocessing ToughReact (or Tough2)
Hi. Any preferred tool for post processing, including visualization and analysis ability for ToughReact? Seems that Tecplot is used by some people. But the vendor states that the output files (or…
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Effect of the diffusion coefficient(D0) on the TOUGHREACT
Dear Sir or Madam, Sorry to disturb you. I found a problem when I run the example model in the 8.1 Problem 1 – Aqueous Transport with Adsorption (Linear Kd) and Decay (EOS9) in TOUGHREACT User Guide…
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Setting Boundary Conditions in Toughreact
Hello All I know how to impose Dirichlet and Neumann conditions for a single column volume like A in my sketch (one dimensional case). In the image, the blue cell represents a injection block.…
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Problem on the number of grid blocks for time evolution > 15
Dear Sir or Madam, I am sorry to disturb you. I wanted to print out 60 grid blocks for time evolution printout. And I just listed all the grid numbers in several lines (15 in every line) in the…
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The discrepancy between numerical solution and analytical solution
Dear Sir of Madam, When I run the simple 1D advection-dispersion model with Kd adsorption, I found there is a difference between the numerical solution and analytical solution.…
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Difference between surface area for sorption and initial mineral reactive surface area
Hi, everyone, I am confused by the concepts of S_AREA (surface area for sorption) and AMIN (initial mineral reactive surface area) If I choose IFLAG=0 and IMFLG=0 and only one mineral for the…
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Concepts of cation exchange, surface complex, inner-sphere and outer-sphere complex
Hello, everyone, I am confused by the concepts of cation exchange, surface complex, inner-sphere and outer-sphere complex now. I found the sorption mechanisms are inner-sphere and outer-sphere…
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Problem with runlog.out file size
Hello: I'm working with toughreact 2.29 in a cluster, and i have noticed that the "runlog.out" file is the output file of higher size (even higher that "flow.out"). To the point that is an issue.…
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Helium diffusion into CO2 plume
Hi, I am running toughreact V3 example problem 5 with diffusion switched on and helium added to the fluid and CO2 phase. During and after CO2 injection i expect the helium to diffuse into the CO2…
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Convergence problem chemistry
Hello, everyone, I was running a water-rock interaction model with Toughreact. The runlog.out file prompted "Warning: chemistry did not converge at node A1114 (routine NEWTONEQ),…
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toughreact groundwater flow direaction
hi,!! l use the toughreact v1.2 but l don't know how to set the direction of groundwater flow?? the following is my model condisions - toughreact v 1.2 eco2n - 60*60*40(cube type) - one injection…
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Geochemical Equilibrium between 2 water compositions
Hello: I understand how to obtain the speciation of one water composition in one grid block for a given thermodynamic conditions. But I want to know if it's possible to obtain the geochemical…
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Reactive surface area on surface complex
Hi, everyone, I am confused by the concepts of S_AREA (surface area for sorption) and AMIN (initial mineral reactive surface area) If I choose IFLAG=0 and IMFLG=0.…
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MOPR(1) = 4 (constant velocity)
Hi, I know most of simulation uses the first option of MOPR(1) as 0: reactive transport or 2: only flow with no chemical reaction but when do we use 4:…