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Setting up initial water chemistry
Hello, I am trying to set up a TOUGHREACT model of reactive transport during upwelling of CO2 and salt, starting by emulating the chemistry presented by Zhang et al., 2016 (attached).…
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TOUGHREACT_Debugging
Hello Everyone: I am pretty new to TOUGHREACT. I am trying to build a model to simulate Ba++ and So4-- reaction in porous media. The attachments are the input files I modified based on P8_EOS1 from…
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Pressure loss
Hello, I am using TOUGHREACT to model a core-flood experiment. One end is closed and has CO2 and/or brine injected in and the other is set to be an inactive node to simulate the constant pressure at…
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Grid orientation effects on mineral dissolution
Hello everyone, I made the model with homogeneous mineral distribution and set the acid source at center position. At first, I run the model without permeability enhance due to the mineral…
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Is it possible to compute a simulation with OH- as primary species?
Dear all, I would like to know if it is possible to compute a simulation by using a database with OH- as primary species. I used the kswitch utility in order to switch a database with H+ to OH- as…
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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.…
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How do I conduct a batch modeling of NaCl-water with primary minerals
Hello everyone, I am trying to conduct a batch modelling of NaCl-water with primary minerals in a rock sample over 10-year period to determine the brine composition and primary species in the rock.…
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Restarting TOUGHREACT Simulations
I'm trying to restart TOUGHREACT simulations by renaming SAVE to INCON and savechem to inchem. In between simulations, I'm adjusting the initial waters associated with certain elements by changing…
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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.…
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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…
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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.…
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Toughreact and eos5
Hello everyone, I am new at using Toughreact and would like to know if there is any version of Toughreact that works with EOS5 (Water, Hydrogen). If not,…
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Problem running TOUGHREACT v 1.2 on Petrassim
Hi, I am new to TOUGHREACT and using v 1.2 on PETRASIM. Essentially I am trying to model formation of quartz veins on fractures from fluid from rock matrix. Just to see I set certain conc.…
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V1.2 TOUGHREACT ECO2N IN PetraSim:Problems with initialization for flow and chemical field
Hi, I am new to TOUGHREACT and using v 1.2 ECO2N on PETRASIM to model CO2 Sequestration. And I have created a 2-D isothermal rectangle model and designed a temperature gradient of 3.…
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Confusion about CTOT and CGUESS
Hello, I am quite confused about how to provide initial chemistry to TOUGHREACT. If I want to tell TOUGHREACT that my pH is 6 and calcium concentration is 2mol/kg H2O, how should I proceed?…
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Using TOUGHREACT with zero porosity boundary
Hey everyone, I have recently tried to use a zero porosity boundary as I run a TOUGHREACT 2.0. In TOUGH2 manual, I have found out that this is allowable.…
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Error when use MESHMAKER to generate XYZ mesh in TOUGHREACT ECO2N sample problem
Hello dear, I am trying to learn the ECO2N module in TOUGHREACT, so I began at the sample Problem 5 – 1-D Radial Model for CO2 Sequestration in a Deep Saline Formation.…
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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.…
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Problem running TOUGHREACT in Petrasim
Hi, I am new to TOUGHREACT. I set up a simulation with material properties and other parameters. Created MESH. However, TOUGHREACT Halts Simulation prematurely with an error message "MESHMAKER HAS…
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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…
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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.…
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Error in reading INCON - Problem 5, eco2n_1D Radial
Hello, In problem 5, eco2n_1D Radial, I am using the input files provided (flow, solute, chemical, CO2TAB, .dat, and executable) to run a q=0 kg/s flow in order to find the equilibrium conditions…
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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…
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runtime in Problem 6 2-‐D Radial Model for CO2 Sequestration in Deep Saline Formation from TOUGHREACT V4
Hello everyone! I am working on Problem 6 2-‐D Radial Model for CO2 Sequestration in Deep Saline Formation from TOUGHREACT V4.0. I already got the results for the first 10 years...…
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Multiple questions regarding data entry for a surface complexation problem
Hi there, I am working on a coal combustion product (CCP) leachate project. The goal is to understand the natural attenuation and reversibility for some remediation drivers at CCP sites,…