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Error message: Components missing:h2o
Hello All! I am trying to run a batch equilibrium simulation with several mineral phases including goethite and others having h2o in the reactions equation.…
- Zsuzsanna Szabo-Krausz
- Zsuzsanna_SzaboKrausz
- 1 mth ago
- 12
- TOUGHREACT
0
SMCO2 is not increased
Hello I am using Toughreact v3 for simulation for CO2 injection and our simulation runs well, however, CO2 is not mineralized after the simulation has finished.…
- Nurlan Seisenbayev
- Nurlan_Seisenbayev
- 1 mth ago
- 22
- TOUGHREACT
1
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.…
- zhou xiaoxiao
- zhou_xiaoxiao
- 2 mths ago
- 4 replies
- 45
- 1
- zhou xiaoxiao2 mths ago
- TOUGHREACT
2
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,…
- Assylay Amangeldiyeva
- Assylay_Amangeldiyeva
- 3 mths ago
- 35
- 2
- TOUGHREACT
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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.…
- Fee Arens
- Fee_Arens
- 4 mths ago
- 32
- TOUGHREACT
0
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.…
- Barbara Cantucci
- Barbara_Cantucci
- 4 mths ago
- 23
- TOUGHREACT
0
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?…
- Mikey Hannon
- Mikey_Hannon
- 4 mths ago
- 13
- TOUGHREACT
0
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),…
- Assylay Amangeldiyeva
- Assylay_Amangeldiyeva
- 5 mths ago
- 19
- TOUGHREACT
0
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.…
- Liu
- Liu
- 6 mths ago
- 33
- TOUGHREACT
0
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…
- Dirk
- Dirk
- 6 mths ago
- 2 replies
- 20
- Dirk6 mths ago
- TOUGHREACT
0
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.…
- Sai
- Sai
- 7 mths ago
- 24
- TOUGHREACT
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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.…
- Gustavo Santos
- Gustavo_Santos
- 9 mths ago
- 2 replies
- 54
- Gustavo Santos6 mths ago
- TOUGHREACT
1
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…
- Fernando Guerrero
- Fernando_Guerrero
- 9 mths ago
- 50
- 1
- TOUGHREACT
1
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…
- Nurlan Seisenbayev
- Nurlan_Seisenbayev
- 10 mths ago
- 48
- 1
- TOUGHREACT
0
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)?…
- sue
- sue
- 11 mths ago
- 25
- TOUGHREACT
0
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.…
- Nurlan Seisenbayev
- Nurlan_Seisenbayev
- 1 yr ago
- 58
- TOUGHREACT
0
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.…
- Tyler Huth
- Tyler_Huth
- 1 yr ago
- 5 replies
- 39
- Tyler Huth11 mths ago
- TOUGHREACT
0
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…
- Carlos132
- Carlos132
- 1 yr ago
- 36
- TOUGHREACT
1
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…
- sue
- sue
- 1 yr ago
- 7 replies
- 61
- 1
- sue1 yr ago
- TOUGHREACT
0
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.…
- Chenming Zhang
- Chenming_Zhang
- 1 yr ago
- 1 reply
- 22
- Eric Sonnenthalmoderator1 yr ago
- TOUGHREACT
1
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…
- Temitope
- Temitope
- 1 yr ago
- 1 reply
- 37
- 1
- Chenming Zhang1 yr ago
- TOUGHREACT
0
How to terminate TOUGHREACT when chemistry does not converge
Hi, everyone: Once setting a new TR simulation into running, the first file i regularly check is runlog.out to see if chemical calculation is doing well.…
- Chenming Zhang
- Chenming_Zhang
- 1 yr ago
- 50
- TOUGHREACT
0
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…
- Chenming Zhang
- Chenming_Zhang
- 1 yr ago
- 4 replies
- 39
- Chenming Zhang1 yr ago
- TOUGHREACT
0
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.…
- Liheng Wang
- Liheng_Wang
- 1 yr ago
- 30
- TOUGHREACT
0
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.…
- Temitope
- Temitope
- 1 yr ago
- 4 replies
- 85
- Temitope1 yr ago
- TOUGHREACT

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