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what if a primary species is not defined in the database?
The modeling I am working on involves some initial species that are not defined as primary species in the database. Although I have figured out how to define a new mineral in the database,…
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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?
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Pre- & Post- processors - What are their Pros and Cons?
Greetings I need to develop reactive-transport models with TOUGHREACT and run simulations as part of a project on "subsurface barrier formation as a CO2 leakage mitigation and remediation…
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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 the…
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Database TherAkin10.dat
I need some information about the thermodynamic data from TherAkin10. For example what means k-feldspar k-feldspar-kk or magnesite and magnesite-2 and why is the Log K much greater for magnesite-2
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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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Timestep problems while including O2(g) in calculations (V3-OMP / ECO2N)
Hello everybody, I have found the next problem for you to resolve :-). I am using Toughreact V3.0-OMP, but the problem would appear with V2, too, I assume.…
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Different output results for different max time step (DELTMX) values
~~I am running a Toughreact model. I run this model with the time step of 1200 seconds (DELTEN=1200 s) using different max time step values (DELTMX= Infinite, 15 years,…
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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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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,…
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Question about constant rate
Hi, everyone, I am trying to add the constant mass injection case in my model. Based on the manual, I uses the "mass" to represent the injector by using the dummy element.…
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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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Failed mass balance for CO2 if "Two Fluid Phases conditions" employed
Hello everyone, I am trying to run the geochemical equilibration of brine with a sandstone rock composed of several minerals (mostly quartz 70%, around 4% carbonates and some feldspars and clay…
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Question about Restart in TOUGHREACT
Hello Everybody, I am struggling to get running a restart and I would really much appreciate your insights. I'm using eos1 in toughreact_V2. The first run is a 2d model in which I have 8 minerals,…
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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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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),…
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Restart timestep
When restarting a run after long time calculation (e.g.1000year) and continuing the run until 10000year, I can't start the restart run properly. In the SAVE file,…
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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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Initial Geochemical Equilibrium between Minerals and Brine
Hello there, I'm simulating CO2 injection into sandstone aquifer of synthetic brine, NaCl. I've read in several papers in which TOUGHREACT w/ ECO2N is used and something is mentioned like "batch…
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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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Mass Balance for trace gases in TOUGHREACT V3-OMP
Dear colleagues, I stumbled about a little problem concerning the mass balance for trace gases using the new TOUGHREACT V3-OMP version. I am simulating the injection of CO2 containing trace gases…
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Prescribed boundary conditions for chemistry but constant flow rate BCs for flow
Hi all, I'm using TOUGHREACT with ECO2N module. In the simulations, the flow is injected at a constant flow rate and due to dissolution/precipitation, the pressure would change at the boundary cell.…
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Research Collaboration: TOUGHREACT
Greetings to TOUGH Codes Users; I am a researcher from South Africa currently involved in carbon geological storage contamination risks modeling. More details of my research can be downloaded from:…
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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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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:…