TOUGHREACT Category

Should we buy the Executable or Source version?

Hello everyone, In the upcoming days, my research group is planing to buy a TOUGHREACT license to model reactive transport of acid mine drainage from abandoned coal mines,…

No convergence during CO2 injection into heterogeneous mineralogy

Hello, I am very stuck on a reactive transport modeling project, and was wondering if someone would be willing and able to help me. I have initialized a homogenous (100% quartz) 2-D aquifer system…

Reconciling Flow and Chemical Inputs

Hello, I have a couple questions that are very basic and therefore hopefully rather straightforward for someone to answer. I am just getting started using TOUGHREACT,…

Setting up initial water chemistry

Hello, I am trying to set up a TOUGHREACT model of reactive transport during upwelling of CO2 and salt, starting by emulating the chemistry presented by Zhang et al., 2016 (attached).…

Flow of mineral water

Hello, I am studying the chemical effect of water in contact with cement, so I have, basically, several cells made of cement next to others of water. I would like to have a continual reviewal of the…

TOUGHREACT using MINC MESH

I'm running a model about reactive transport in a fractured reservoir. I used MINC function to create the fracture system. However, I have to use 8 characters for the eleme names for the uniqueness…

Reproducing the carbonate acidizing simulation

Hello everyone, I’m a beginner at TOUGH REACT. I want to reproduce the carbonate acidizing simulation of the paper . but, my simulation results is a slight decrease in porosity,…

MINFLAG units

I'm doing TOUGHREACT simulations. For the kdd_min.tec file, MINFLAG I used 'Change of mineral abundance in mol/m3 medium'. I don't know what this 'medium' mean.…

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),…

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…

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.…