TOUGHREACT Category

Pressure loss

Hello, I am using TOUGHREACT to model a core-flood experiment. One end is closed and has CO2 and/or brine injected in and the other is set to be an inactive node to simulate the constant pressure at…

Is it possible to compute a simulation with OH- as primary species?

Dear all, I would like to know if it is possible to compute a simulation by using a database with OH- as primary species. I used the kswitch utility in order to switch a database with H+ to OH- as…

Cells with time-dependent concentration?

Hi, I found that time-dependant boundary conditions in flow are possible in TOUGH2 by using FOFT and GOFT blocks, but is it also possible to have a time-dependent concentration at certain element?…

Initializing simulation with sorbed species

First, this is my first foray into building up my own TOUGHREACT simulations, so I apologize if this is a question I should have figured out by reading the manual more closely.…

Error compiling the utility kswitch_v2.3.f

I'm attempting to compile the kswitch_v2.3.f source code that came with TOUGHREACT v3.32. I'm using the gfortran compiler, and if this is relevant, I'm running this on Ubuntu v 17.10 as my OS.…

Time stepping with 'infinite volume' boundaries

Hello, I was wondering if you all could help me understand the time stepping of a soil model I’m building. I would like to model annual soil carbonate formation and dissolution dynamics in a soil.…

salt, chemistry and permeability reduction in ECO2N

I am trying to simulate salt precipitation and corresponding permeability reduction upon CO2 injection using the ECO2N EOS in TOUGHREACT. Initially without chemistry.…

How we can define a reaction with two minerals (such as reaction 1) in Toughreact’s thermodynamic database?

I am trying to simulate the precipitation of uraninite using reactive mass transport modeling. In my reactive transport model, Uraninite precipitates through the following reaction:…

The reactive portion of the model seems not to run

Hi! I'm a new user of this interesting forum. I'm trying to simulate a diagenetic process by using PetraSim 5.4 (TOUGHREACT and EOS3). Therefore, for each new simulation,…

The simulation of the general three types of boundaries

Dear Sir or Madam, I just want to simulate the general three types of boundaries (without any specific cases) in the inlet end: Dirichlet, Neumann, and Robin.…

no runlog.out file for error

Hi everyone, I am a beginner using toughreact. Currently, I am building up a 3 layered single phase model. After I built up everything, the model stop running after 1.8 seconds and shows me error.…

CEC: cation exchange capacity (meq/100 g of solid).

In ToughReact, does the cation exchange capacity have the time vector？Does it represents meq/100 g of solid/s？

Does the ExtraCell function run well

I want to simulate a small flooding, the core is tiny and I want to add an ExtraCell, where can I find the manual about the meanin of the parameters?

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…

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.…

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…