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How to set-up a model that reacts only on the surface
I am trying to set-up a model that simulates a leaching experiment. The material is very impermeable (flow is not supposed to go through) and based on existed data,…
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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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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:…
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'nkdd' field in TOUGHREACT input file
Hi- I participated 2014 TOUGH(REACT) short course and new to here. I am using PetraSim only to generate basic input files and modify them to run on our university's cluster computer (PetraSim…
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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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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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Mineral volume fraction greater than 1 in outsolid.dat
Hello, I have a problem with TOUGHREACT PITZER. I'm running a model with calcite, anhydrite and dolomite whose initial volume fractions are 0.99, 0 and 0.01 respectively.…
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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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version of shared libraries
I just tested the Linux executable of TOUGHREACTv3 on our Linux cluster and I got the following error message before it crushed: /home/ycda/bin/treactv3omp_eos1_linux_intel: /vend/intel/intel_cc_10.…
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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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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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Nonconvergence of TOUGREACT v332 (ECO2N)
I am performing 2-D radial simulation using TOUGHREACT (ECO2N). When I carried out the simulation using v332, the message "Stopping in main due to flow nonconvergence" appeared after several time…
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Recommendations on using TOUGHREACT to perfome reactive transport modeling of hydrogen in a depleted gas reservoir
Dear All, I am dealing with the problem of reactive transport modeling of hydrogen in a depleted gas reservoir. I was wondering if anyone has already done reactive transport modelling of H2 with…
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tracer diffusion in CO2
Hi I am modelling Helium diffusing from formation water into injected CO2 (with the ECO2N module in toughreact v3). However I am unsure about how the diffusion coefficient for He in CO2 is set in…
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Total No. of Aq. Complexes
Hi Everyone, I just found from an error message that there is a default limitation for maximum number of aqueous complexes to be used in the TOUGHREACT simulation i.e 70.…
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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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Problems precipitating phases at high ionic strengh using trpitz_v1.21
Hello everybody, I am working on a geothermal application and I try to model halite precipitation during the cooling of a brine in a borehole. Even when the brine is oversaturated by far with…
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Piecewise homogeneous model
Hi, I tried to make a piecewise homogeneous transport (v is varying with different regions) model by setting a couple of 'fixed state' cells with a constant pressure to get the desired pressure…
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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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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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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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How to calculate the mechanical dispersion in TOUGHREACT
Hello. I am inquiring about how to know the mechanical dispersion in the PetraSim/TOUGH. When I input the diffusion coefficient and tortuosity/porosity,…
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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.…