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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),…
- Johnny Zuo
- Johnny_Zuo
- 4 yrs ago
- 5 replies
- 747
- 2
- Leo Fuhrmann2 yrs 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
- 4 mths ago
- 27
- 1
- 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
- 8 mths ago
- 7 replies
- 51
- 1
- sue8 mths 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
- 9 mths ago
- 1 reply
- 32
- 1
- Chenming Zhang9 mths ago
- TOUGHREACT
1
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,…
- Anthony
- Anthony.1
- 5 yrs ago
- 4 replies
- 608
- 1
- Anthony9 mths ago
- TOUGHREACT
1
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.…
- Jaeshik Chung
- PhD student@UF, Researcher@KIST
- Jaeshik_Chung.1
- 3 yrs ago
- 7 replies
- 473
- 1
- Eric Sonnenthalmoderator3 yrs ago
- TOUGHREACT
1
TOUGHREACT ECO2N
Hi, I'm quite new in using TOUGHREACT. Can anyone please clarify one question I've been having for quite a while now? The system I'm trying to model is just simple mixing between brine defined by…
- Alex Grey Saldaña
- Alex_Grey_Saldana
- 5 yrs ago
- 4 replies
- 1,261
- 1
- Alex Grey Saldaña5 yrs ago
- TOUGHREACT
1
What does negative H+ concentration mean in TOUGHREACT?
I am running some simuations, the results seem to make sense (including pH). But why does the h+ concentrations are negative? Is there a special calculation to convert h+ to pH?
- Qian Z.
- Qian_Z
- 7 yrs ago
- 2 replies
- 2,133
- 1
- Qian Z.7 yrs ago
- 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
- 4 hrs ago
- 1
- 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
- 3 wk ago
- 8
- 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
- 1 mth ago
- 2 replies
- 15
- Dirk1 mth ago
- TOUGHREACT
0
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
- 4 mths ago
- 2 replies
- 31
- Gustavo Santos1 mth ago
- TOUGHREACT
0
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,…
- Mikey Hannon
- Mikey_Hannon
- 3 yrs ago
- 7 replies
- 704
- Mikey Hannon1 mth 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
- 2 mths ago
- 16
- TOUGHREACT
0
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
- 4 mths ago
- 26
- 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
- 7 mths ago
- 5 replies
- 31
- Tyler Huth6 mths ago
- 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
- 6 mths ago
- 23
- 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
- 6 mths ago
- 35
- 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
- 8 mths ago
- 26
- 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
- 9 mths ago
- 1 reply
- 17
- Eric Sonnenthalmoderator9 mths 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
- 9 mths ago
- 40
- TOUGHREACT
0
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,…
- Cameron
- Cameron
- 1 yr ago
- 2 replies
- 48
- Chenming Zhang10 mths ago
- TOUGHREACT
0
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…
- Godarzi
- Godarzi
- 4 yrs ago
- 1 reply
- 319
- Chenming Zhang10 mths ago
- 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
- 10 mths ago
- 4 replies
- 29
- Chenming Zhang10 mths ago
- TOUGHREACT
0
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.…
- Ali
- Ali
- 6 yrs ago
- 1 reply
- 478
- Carlos13211 mths ago
- TOUGHREACT

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