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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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Mineral volume fraction greater than 1 in outsolid.dat
Hello, I have a problem with TOUGHREACT PITZER. I'm running a model with calcite, anhydrite and dolomite whose initial volume fractions are 0.99, 0 and 0.01 respectively.…
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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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Cooling cell
Hello and thanks for maintaining this forum, very useful indeed. I am running a variation of the 5 spot problem in Toughreact. Essentially this is a polygonal mesh and there is a 10 meter high…
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STIMAX parameter: Which ionic strength is considered?
Dear all, I have a question concerning the STIMAX parameter in the solute.inp file in record 3. As described in the TOUGHREACT V3.0 manual, STIMAX acts as:…
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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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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.…
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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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zero flux for ions at boundary condition
Hello, When simulating a drying process of a porous media it is possible in TOUGH2 to apply a capillary pressure at the boundary condition. However, when doing such a simulation with a porous media…
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'nkdd' field in TOUGHREACT input file
Hi- I participated 2014 TOUGH(REACT) short course and new to here. I am using PetraSim only to generate basic input files and modify them to run on our university's cluster computer (PetraSim…
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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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Restart problem
Hello, I am running a series of simulations which were running well until the last restart. With the most recent restart, when I wish to restart the program immediately stops and gives this error…
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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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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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version of shared libraries
I just tested the Linux executable of TOUGHREACTv3 on our Linux cluster and I got the following error message before it crushed: /home/ycda/bin/treactv3omp_eos1_linux_intel: /vend/intel/intel_cc_10.…
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Problems precipitating phases at high ionic strengh using trpitz_v1.21
Hello everybody, I am working on a geothermal application and I try to model halite precipitation during the cooling of a brine in a borehole. Even when the brine is oversaturated by far with…
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Role of ico2h2o and mass balance
I have run a number of simulations using Toughreact Versions 1.2 and 3OMP and the ECO2N EOS. In trying to understand the mass balance I have tried runs with 0 entered for ico2h20 and 1 or 2 as well.…
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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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Recommendations on using TOUGHREACT to perfome reactive transport modeling of hydrogen in a depleted gas reservoir
Dear All, I am dealing with the problem of reactive transport modeling of hydrogen in a depleted gas reservoir. I was wondering if anyone has already done reactive transport modelling of H2 with…
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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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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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Please help with 2D version of 1D radial flow ECO2N example
Hello Everyone, I am very new to TOUGHREACT, and in all honesty, I know I am in over my head, but I refuse to give up. I apologize in advance, although I find my problem very difficult for me it…
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Input conversion error, unit 33
Hi there, I've modified a sample input file flow.inp (in P5-ECO2N) to use our dimensions and parameter values. But after running the toughreact executable, this is the error message I've got.…
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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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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.…