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Why it takes unbelievable long time to run kinetics?
It seems that TOUGHREACT starts to choke when I add kinetics to the chemistry of the my model. The model runs just fine for equilibrium. But once I add kinetics,…
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Geochemical Equilibrium between 2 water compositions
Hello: I understand how to obtain the speciation of one water composition in one grid block for a given thermodynamic conditions. But I want to know if it's possible to obtain the geochemical…
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initial volume fraction of the mineral
Hello everybody, I have just one trouble, could "initial volume fraction of the mineral" be superieur 1 ? Thank a lot.
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Compiling TOUGHREACT V3.0-OMP using Cygwin and gfortran
Hey everyone, I have so far been able to compile all EOS modules of TOUGHREACT V3.0-OMP using gfortran and the Cygwin Windows utility. This was done using the following options:…
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TR-V3-OMP: Composition of gas zone / VOLG
Hello everybody, I am using the new Toughreact Version 3.0 OMP with ECO2N EOS. I took the Sample problem no. 5 (1D radial model for CO2 Sequestration) and tried to add some SO2 as tracer gas in the…
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Changing boundary condition for chemistry in EOS3, TOUGHREACT
Dear all, I would appreciate it very much any help with the following: In the problem I model I use constant concentration chemical boundary condition,…
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How to simulate the surface complex in PetraSim
Hello, everyone, Sorry to disturb you. I wanted to simulate the surface complex between aqueous Europium+3 and -S-sOH and -S-wOH (the defined group) in clay.…
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Difference between TOUGHREACT 1.2 and 2
Hi all, I am observing quite different (quantitative) results between 0D and 1D simulations run with the 1.2 version of TOUGHREACT/ECO2N and the 2.0 version.…
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How to assign pore pressure gradient
Hi, I have a question in assigning the pore pressure gradient in TOUGHREACT? I tried to assign the pore pressure to each zone by the txt file, but failed. Is there anyone has the experience? Thanks.…
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Is there a limitation in the number of grid blocks to be printed out?
Hi- I ran two simulations with different number of grid blocks to be printed out in 'time.out' The first case with 10 grid blocks had no problem at all but the other one with 100 blocks encountered…
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restart with surface complexation
Hello, I have been trying to run a restart with surface complexation. First, I get an error like that: "Restart time in INCHEM file is not the same as starting time for flow calculations. timetot= 3.…
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Convergence problem in initialization of water composition
Hello, everyone, When I run my TOUGHREACT model, the runlog.out file displayed "ERROR (convergence problem in initialization of water composition) Please adjust convergence criteria regarding…
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Difference between 'e' and 'd' in power expression
Hi, it might be a minor problem though (because I am a newbie to scripting), Sometimes the power expressions are written in 'd', not 'e' (e.g. 1.0d-9, not 1.0e-9 especially in DIFUN filed).…
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Convert TOUGHREACT output to Tecplot readable output
Has someone generated a utility to convert TOUGHREACT output files into files that are readable by TECPLOT? I found the EXT utility for converting TOUGH2 output into TECPLOT-formatted files,…
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Documentation on the Numerical Aspects in Forming and Solving the Equations
Hello, There are many papers on Toughreact but I am searching for a documentation/paper on forming the equations i.e. accumulation, convection, reaction terms and solving these equations.…
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Questions on aqueous kinetics, Sample Problem 10.
Hello everybody, I have some questions concerning the representation of aqueous kinetics reactions and especially the sample problem 10 from the Toughreact V3-OMP description. 1) In table 1.10-2 (p.…
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Species appear two times in time.out
Hi, I have a problem in reading result file. Some primary species in <time.out> appear two times; one column with the header of "t_xxx" and the other start with just "xxx" without "t_" ahead.…
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TOUGHREACT ECO2N, temperatures higher than 110 ˚C
I am using Petrasim 5.3.1203 for a scenario to inject water and 5% CO2 in a deep geothermal reservoir to examine the mineral interactions and their impact on the fluid flow.…
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ECO2N - possible to solve for temperature in sample problem?
Hello All, I have been working with the (*rcc3*) example from the ECO2N user manual: Radial Flow from a CO2 Injection Well. This problem has a constant temperature of 45C.…
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Empty FOFT file
Hello, I was wondering if someone could help me with the following problem. I am running ToughReact1.2(eos3) and would like to use the FOFT keyword to obtain time-dependent data for selected…
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Boundary water
Hi all, I'm modeling CO2 underground injection and we are injection a mixture of brine and supercritical CO2. Under the system pressure and temperature and the injection rates,…
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Link error - ToughreactV3.0
Hi! I have the following error message when compiling TOUGHREACTV3.0 using Microsoft Visual Studio 2013: fatal error LNK1248: image size (F3F2E000) exceeds maximum allowable size (80000000) Does…
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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,…
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How to define the tortuosity in TOUGHREACT
Hi. I am confused by the concept of the tortuosity. I found it was defined as is the ratio of the average length of the flow paths through the medium to the straight-line length across the medium…
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How to handle time step control for proper chemistry computation?
Dear all, I am struggling with some Toughreact basics and maybe some of you can explain me shortly how to handle the time step control in a proper way to avoid mistakes and miscalculations.…