TOUGHREACT Category

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:…

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.…

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,…

Empty FOFT file

Hello, I was wondering if someone could help me with the following problem. I am running ToughReact1.2(eos3) and would like to use the FOFT keyword to obtain time-dependent data for selected…

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…

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.…

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…

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.…

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…

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…

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…

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.…

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…

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.…

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…

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…

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.…

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…

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…

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…

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.…

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:…

Simulate the cation exchange and surface complex between heavy metal and clay

Hello, everyone. I am trying to simulate the cation exchange and surface complex in clay. However, my simulation results are very strange. Could someone please help me figure out how to how to…

Cation exchange and surface complex input files

Hello everyone, I'm simulating the cation exchange and surface complex between Eu+3 and clay, and I found only the 8.2 problem 2 and 8.10 problem 10 in TOUGHREACT v2.…

Convergence problem in initialization of water composition

Hello, everyone, When I run my TOUGHREACT model, the runlog.out file displayed "ERROR (convergence problem in initialization of water composition) Please adjust convergence criteria regarding…