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Found 10 results

  1. My question is two-fold: 1. Can I modify the phrqpitz.tdat database to include acetate and formate with limited data on virial coefficients for cation-anion or anion-anion interactions? 2. There is obvious discrepancy in species activities when I use GSS with phrqpitz.tdat versus V8 R6.tdat, and of course the absence of acetate and formate from the phrqpitz.tdat database means I cannot calculate the activities or reaction paths of these species using phrqpitz.tdat in React. Can I import data calculated using phrqpitz.tdat in GSS into React and then use V8 R6.tdat to simulate microbia
  2. I am attempting to calculate water chemistries in equilibrium with several common evaporite assemblages specific to my area of study and then run further evaporation calculations on these waters. It seems as if the best way to do this would be to determine the water chemistries in SpecE8 and then run evaporation calculations in React. For example, I am swapping in calcite for Ca++, gypsum for SO4--, glauberite for Na+, and halite for Cl-. Then I am including PCO2 calculated for 400ppm CO2 and a pH of 8. I continue to get an error stating "Ionic strength out of range". I have also att
  3. Good day, I am using React to model batch dissolution experiments that were performed over 140 days. Every two weeks 2ml of the initial 60ml fluid were removed to perform measurements. How do I account for this in my model? I've been told there is a way to do it through the command tab but I can not figure it out.
  4. Cali

    Kinetics

    Hi! I'm trying to run a simulation to see how anorthite reacts with seawater in a high pCO2 environment. I want to add kinetics but when I ran the file it gets stuck on step 946 and will not progress beyond that. I've attached the relevant react file. If someone could help me with this it would be extremely appreciated! Thanks, C anorthite.sw.rea
  5. Starting to learn to use GWB and wondering about modeling boiling processes in geothermal fluids. I've read the available posts re: doing simple boiling models in REACT by changing gas fugacity in your brine, but many of these posts are over 10 years old and recommend using other software. Has any advance been made on this, or does the recommendation that other programs provide better results still apply?
  6. I have two Tcl scripts designed to heat up samples in the first script, and save this to output. I then have a second script that reads in this output from script1 and then mixes and reacts the samples in the second loop. In the first script, the output writes nicely to a file (see output "Output_SW_HOT.txt"). In the second script, any output from the reaction (obtained via the "report" function) only will write to the console and refuses to write to the output. Any other text, including rewriting the input to the outfile is okay. It is just when I am trying to obtain the values with report th
  7. Hi GWB Forum, I am trying to mix two seawater samples with the same chemistry, but different temperatures and calculate a flash diagram for aragonite saturation state using React following the "Fluid Mixing and Scaling" instructions. I have also calculated the endmember fluid Log(Q/K) values for aragonite using GSS. I am getting a very different answer for the end member compositions depending on which approach I take. I checked that I am using the same thermo database (phreeqpitz) for both, and am having trouble understanding why they are so different. I've attached my React f
  8. Hi guys, i want to make a comparison between EQ3/6 and GWB about a simple water-rock reaction on the base of the same thermodynamic database. The final results seem to be alike, but the processes of the reaction have much difference. I guess the algorithms used by these two software cause the situation. A hybrid Newton-Raphson algorithm is employed in EQ3/6 during the reaction. However, i don't find the algorithm that GWB used during reaction. So i am here asking for help. ONE MORE, why can i only start a topic on the student forum?
  9. I updated to the latest version this morning. Now I'm finding that if I plot my results from a React run, I only have the option of a Piper diagram. When I open React-generated plots of constituents versus pH, made yesterday with the older version, they too open up as Piper diagrams. Any thoughts? Thank you.
  10. Recently, i want to run two reactions, the second one is on the basis of the first one. After running the first reaction, i use run-pick up-system-entire, but an error occurs. However, this situation doesn't occur all the time, just in a small range of amount of reactant. The reaction files and database are attached below. I don't know what's wrong, so i am here asking for help. Stage1.rea thermo.nn.tdat !What's more, aftering reading the content about redox pivot, i decoupled "HS-/SO4--" and solved this problem. But the sulfide won't form in the reaction
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