TOUGHREACT Category

Compiling and Running TOUGHREACT v3.32 using Ubuntu/Linux

Hey everyone, I've been able to get the newest version of TOUGHREACT working with my workstation, which has Linux/Ubuntu (v 17.04) as its OS. Setting things up didn't go without hitches, though,…

A question about the additional mechanism under the Minerals entry in the chemistry.inp file

Dear All, Hello everyone! I just started learning toughreact software. At the moment, I am a bit confused about the description of the additional mechanism under the Minerals entry in the chemistry.…

No change in minerals vol. fraction

Dear All, I am a beginner in TOUGHREACT simulation and I have issues with getting results from simulation. This simulation performs simulation and there is no error indicated in the runlog file,…

TOUGHREACT-EOS2 - non-congergence- injection of H2O and CO2

Hey everyone, I need help to solve a problem in my input file, please. I run into a problem with an input file which I have been using for different simulations already and which worked fine.…

NaN in TOUGHREACT 3 EOS2 simulations

Hello Everyone, I'm using TOUGHREACT 3 with EOS2. When I run the simulation (which runs well in TOUGHREACT 2) the results are NaN in the aqueous concentrations and minerals.…

Using TOUGHREACT with outside flow data

So I think the answer to this is "no", but is there a way to run TOUGHREACT using fixed velocity fields provided by an EOS module from another TOUGH code, like TOUGH3?…

Results for Manually Added Minerals

Hello, everyone! In my simulation, there were manually added minerals to the database ( with all necessary data), however, after running and getting results (from Line plot/ export data),…

Solute transport and shift simulation

Hello everyone! I recently used Petrasim2018 to solve the problem of the dissolution and precipitation of minerals. In the 3D results, I found problems with my results, as illustrated in the figure.…

Running TOUGHREACT LBNL compiled on an AMD CPU

Hi, I am using an AMD Threadripper 24 core CPU and this cannot use kmp_affinity of OpenMP so you get an warning message #72 and #71. kmp_affinity only supported by Intel processors and kmp_affinity…

How can I run the example problems in UBUNTU 20.04.2?

Hello, I am new to using ToughReact (V3.32), and I have no idea how to run the executable already read the installation file but, I have not been able to solve the problem. Use ubuntu 20.04.…

Mass balance issue during phase change (water -> steam)

Dear users, In TOUGH/ TOUGHREACT when we consider water-steam flow in a pipe (EOS1) and assume at given conditions for pressure and temperature the water changes its phase to vapour.…

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.…