TOUGHREACT Category

Sequestered mass of CO2 not calculated/printed out by ECO2N

Hi there, I'm having a look at the example P5_eco2n (TOUGHREACT v332), on CO2 geological sequestration. To my surprise, the sequestered CO2 (output variable 'SmCO2') appears to be zero regardless of…

Looking for training sessions of Toughreact using Petrasim

Hi Everyone, I am new user of TR and I have research project that investigates CCS in Kazakhstan. Since the project can cover the training expenses, I would like to ask if anyone can explain how to…

Question on modeling water isotopes – after Singleton et al. (2004)

Hi Eric, I have been playing around with your water isotopes model of Singleton et al. (2004) and have a question about how fractionation factors are implemented in TOUGHREACT.…

How to consider the evaporation effect of water affected by temperature in tough2

How to consider the evaporation effect of water affected by temperature in tough2 (or what is the governing equation of water conversion in liquid and vapor)?…

PetraSim showing error for Toughreact simulation

Hello everyone, My name is Nurlan, I am a Masters Degree student at Nazarbayev University. I am a new user of Toughreact. Currently working on CCS project application in Kazakhstan.…

set different diffusion coefficient for different layer

As far as I know, only one solute diffusion coefficient can be set for all aqueous species，which is not practical. Is it possible to set different diffusion coefficient of one solute for different…

how to get the variations of mineral volume fraction from the PetraSim？

Hi,everybody I am trying to finish one the examples of the petrasim manual about TOUGHREACT. I have successfully executed the program, but couldn't find any variations of mineral volume…

where to specify the tolerance of gas transport in tr2.0

Hi: from a recent simulation, 'runlog.dat' shows the bellow error message: Warning: chemistry did not converge at node a 8 (routine NEWTONEQ), Non-convergence type: absolute Node temperature (C): 10.…

Large runlog.out file

Hi I am having problems with large runlog.out files causing my disk size to get full quickly. I have made sure that the parameters responsible for this in REACT block are not made greater than zero…

Two time steps with restart gives different results than one without restart

Hello, Do you know why a restart during 6 hours (for example) after one time step (6 hours for example) is different from one time step of 12 hours? In my simulation with eos4,…

TOUGHREACT (v1.2) not considering fluid density due to salinity?

Hello, I am using EOS9 to model a plume of leachate entering the top of an aquifer to evaluate the resulting changes to water & mineral chemistry. I have noticed that when injected,…

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…

What is the use of 'aquatic complexes'

I am wondering how aquatic complexes may change the simulation results. below are my findings: 1. aquatic complexes, if declared in 'chemical.inp', are assumed to be at equilibrium with basic…

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.…

Compilation TOUGHREACT on Windows using gfortran and Cygwin

I am having some problems with compiling the original source code of TOUGHREACT. I have tried using all of the compiler flags and the ones suggested on this forum.…

Grid orientation effects on mineral dissolution

Hello everyone, I made the model with homogeneous mineral distribution and set the acid source at center position. At first, I run the model without permeability enhance due to the mineral…

How to simulate mixed gas injection with Toughreact v1.2

Hi I am trying to develop a model that is used to simulate a mixed gas to inject into a formation, and then get a gas-water- rock reaction model. The mixed gas includes CO2 and H2S and H2.…

Oxidation extension for TOUGHREACT

Hello everyone, I want to simulate the geochemical reaction of coal or shale after the injection of an oxidant such as persulfate. I wonder if I can simulate it by TOUGHREACT V1.2.…

Problem running TOUGHREACT v 1.2 on Petrassim

Hi, I am new to TOUGHREACT and using v 1.2 on PETRASIM. Essentially I am trying to model formation of quartz veins on fractures from fluid from rock matrix. Just to see I set certain conc.…

Problem running TOUGHREACT in Petrasim

Hi, I am new to TOUGHREACT. I set up a simulation with material properties and other parameters. Created MESH. However, TOUGHREACT Halts Simulation prematurely with an error message "MESHMAKER HAS…

Using TOUGHREACT with zero porosity boundary

Hey everyone, I have recently tried to use a zero porosity boundary as I run a TOUGHREACT 2.0. In TOUGH2 manual, I have found out that this is allowable.…

Setting stack sizes when running v3.32-OMP in Linux environments

Hey everyone, I've noticed that the only way I've successfully been able to run simulations with TOUGHREACT v3.32-OMP in a Linux environment was by setting the stack size to unlimited ('ulimit -s…

Atmospheric carbonation of concrete with EOS4

Hi all, We are trying to run a case simulating atmospheric carbonation of concrete with Toughreact V3/EOS4. Running the case without reactivity to check the transport of a tracer works fine (see…

Initialization failed in TFREACT Econ

Dear everyone, Currently I am learning to build a simple model using EOS 7 (3,4,3,6), incorporating salt and CO2 injection. I have been stucking in the initialization step for quite a few days.…

TOUGHREACT v3.3-OMP and ECO2N

Hello everyone ! I would like to know which version of ECO2N module is currently sold with TOUGHREACT v3.3-OMP. Is it ECO2N v.2.0 ? Best regards, Maciej