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  1. In the react output files in the section "Mineral staturation states" the only the first 15 characters of a mineral name are printed. Longer mineral names are cut. In some cases it is necessary to have longer names, for example if dealing with solid phases of more complex nature such as clays and other naturally occuring multi-element phases. Examples: K8(HCO3)4(CO3)2:3H2O (20 characters) GreenRust(Na,SO4) (17 characters) Fe(OH)2.65Cl0.35 (16 characters) In order to make them distinguishable in the react output file, cryptic short names have to be used in the database which in turn appear in all dialogs and diagrams. It would be preferable if the full mineral names could be printed under "Mineral Saturation states" or if at least perhaps 25 characters could be used. Or is there any option to get around this problem?
  2. Is MINTEQA2 V4.x database available for use in GWB directly? If not, is there a straightforward process to convert the database for use in GWB? Thanks
  3. Hey, Jia Sorry to disturb you. Recently I meet a problem after changing computer to run my file in react. When I open "thermo+Lactate.tdat" downloaded from Microbial Populations, the interface shows error. Thus I want to look for help to solve this problem . Besides, I would like to find out how to learn GWB perfectly. By cases? However, I find I always create some strange problems, which belong to details and can't be found in reference files. Best wishes, Wen
  4. I am simulating (in the React module) leaching of chalcopyrite with sodium cyanide. I would like to calculate how much of cyanide is consumed in reactions with copper versus those with iron. How can I do this? Can this also be done in X1t and SpecE8? I am having trouble uploading the input file. But here is the text below: ###################################################################################### # React script data = thermo_minteq_modAK.tdat verify conductivity = conductivity-USGS.dat porosity = .3 temperature = 25 C H2O = 1 free kg Na+ = 600 mg/l swap O2(g) for O2(aq) O2(g) = .2 fugacity pH = 11 CN- = 600 mg/l Fe+++ = 1e-8 mmol/kg SO4-- = 1e-8 mg/l as S Cu++ = 1e-8 mg/l balance off fix fugacity of O2(g) fix pH react 20 mmol of Chalcopyrite suffix pH11 printout basis = short reactions = short #########################################################################################
  5. Hi GWB team, I'm attempting to react a specified volume of fluid with a certain chemistry through a mass of olivine with a certain grain size over a year. I am able to do this using X1t, such that olivine dissolves into the fluid as the fluid migrates through. However, I'd like to essentially add more olivine as the initial olivine is dissolved away. Is there a way to do this? I played around with doing this in React - like the "Flush.rea" tutorial - however that does not let you specify grain size. Another example is this quartz aquifer one: https://academy.gwb.com/dissolution.php which is what I’m sort of aiming to do but I’d like to specify grain size of the aquifer. As part of this experiment, I'm hoping to keep track of total olivine dissolved, total fluid passing through the system, and chemistry of that fluid. I've attached an initial script and database to give an idea of what I'm trying to do. Thanks for all the help! thermo.presaltnov2017.dat forsterite_large_v1.x1t
  6. In React, I have built a fluid in the basis and rock made from kinetic minerals in the reactants pane. From what I can tell, my options in React are to slowly titrate the rock into the fluid, or do a flow-through or flush (neither of which I want). Rather, what I want is to throw my entire rock in the fluid and see what happens after 30 days. How do I do this?
  7. Hello I try to use React to model the water-rock interaction, but I ran in to a problem. First of all, I use SpecE 8 to balance the fluids, and the fluid was produced for Reaction. In React, I use the fluid to react with Abite, Anorthite, Phlogopite, Annite, Muscovite, Quartz, Maxium_Microline, pyrite and Daphinite-14. In the initial fluid (processed by SpecE 8): pH = 4.5, UO2++ = 15.2 mg/kg (component) However, in the Gtplot file produced by React, the initial values are (Rxn progress = 0 ) pH = 4.032, UO2++ = 0.0001326 mg/kg (component in fluid) My question is: Why aren’t they the same (pH and UO2++)? The SpecE 8, React and Gtplot file are seen attached. Best wishes Teng Deng Fluid composition-V2-output to input.sp8 Reaction V10.rea UO2++.gtc pH.gtc
  8. 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 microbial metabolism and growth for the same set of data? Anticipating your response.
  9. 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 attempted inputting an initial water chemistry and then setting equilibrium with these specific minerals but it doesn't seem to be plausible when swapping in several minerals for ions that might be in solution. I am still new to working with Geochemist's Workbench and unsure if this is the correct way to determine a water chemistry in equilibrium with several minerals. Much appreciated if you can shed some light on the subject.
  10. 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.
  11. Cali


    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
  12. 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?
  13. 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 that it will not write these values to output. I am (1) confused as to why this does this, and (2) even more confused as to why I don't have a problem with this in the first script. I am using GWB v. 10 React console to run the scripts. Here is the first script for heating the samples: #React script, saved Mon Dec 18 2019 by DDS script script start data = "500nocSS.dat" verify #Set up the input and output set in_id [open "SO4_SW_Spreadsheet.txt" r] set out_id [open "Output_SW_HOT.txt" w] fconfigure $out_id -encoding unicode set in_id [open "SO4_SW_Spreadsheet.txt" r] fconfigure $in_id -encoding unicode gets $in_id headers puts $out_id "Temperature\tpH\tH2O\tNa+\tCl-\tSO4--\tH2(aq)\tMg++\tFe++\tCa++" #Loop through remaining lines gets $in_id aline while {$aline != ""} { set i 0 balance on Cl- report set_digits 4 foreach a [lrange $aline 1 end] { incr i 1 if {[lindex $headers $i] == "pH"} { pH = $a } elseif {[lindex $headers $i] == "H2O"} { H2O = $a [lindex $headers $i] kg } else { $a = [lindex $headers $i] mmol/kg } } temperature initial = 25 C, final = 250 C go puts $out_id \ "[report Temperature]\t[report pH]\t[report soln_mass]\t[report concentration Na+]\t[report concentration Cl-]\t[report concentration SO4--]\t[report concentration H2(aq)]\t[report concentration Mg++]\t[report concentration Fe++]\t[report concentration Ca++]" gets $in_id aline } script script start close $in_id close $out_id Here is the second script for mixing the samples: #Set up the input and output set in_id2 [open "Output_SW_HOT.txt" r] set out_id2 [open "Output_HF_SW_MIX.txt" w] fconfigure $out_id2 -encoding unicode set in_id2 [open "Output_SW_HOT.txt" r] fconfigure $in_id2 -encoding unicode gets $in_id2 headers puts $out_id2 "$headers\tTemperature\tpH\tH2O\tNa+\tCl-\tSO4--\tH2(aq)\tMg++\tFe++\tCa++" #Loop through remaining lines gets $in_id2 aline while {$aline != ""} { set i 0 balance on Cl- report set_digits 4 foreach a [lrange $aline 1 end] { incr i 1 if {[lindex $headers $i] == "pH"} { pH = $a } elseif {[lindex $headers $i] == "H2O"} { H2O = $a [lindex $headers $i] kg } else { $a = [lindex $headers $i] mol/kg } } go pickup reactants = fluid temperature initial = 400 C, reactants = 250 C H2O = 2 free kg Na+ = 550 mmol/kg Cl- = 550 mmol/kg balance on Cl- Fe++ = 16.56 mmol/kg pH = 5 swap H2S(aq) for SO4-- H2S(aq) = 19.77 mmol/kg swap H2(aq) for O2(aq) H2(aq) = 19.1 mmol/kg Ca++ = 40 mmol/kg Mg++ = 1e-10 mmol/kg go foreach a [lrange $aline 0 end] { puts -nonewline $out_id2 "$a\t" } puts $out_id2 \ "[report Temperature]\t[report pH]\t[report soln_mass]\t[report concentration Na+]\t[report concentration Cl-]\t[report concentration SO4--]\t[report concentration H2(aq)]\t[report concentration Mg++]\t[report concentration Fe++]\t[report concentration Ca++]" reset reactants gets $in_id2 aline } #Clean up. script script start close $in_id2 close $out_id2 Thank you for your help and insight. Output_SW_HOT.txt Output_HF_SW_MIX.txt SO4_SW_Spreadsheet.txt 500nocSS.dat
  14. 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 file, and my gss file for your reference. Thanks for any insights, Amanda JFEndmembers.gss JanFeb-Mixing-AssumeSWinboth.rea
  15. 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?
  16. 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.
  17. 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. I am not sure what happened inside.
  18. Hi, I'm a new user to the software and am trying to simulate reduction of hexavalent chromium to chromium III by reacting the defined system with a ferrous sulfate amendment. As the ferrous sulfate concentration is increased in the reactants pane, more and more hematite is precipitated but very little to no chromium is converted from Cr VI to CrIII. Am I missing a step, or is this just what is most likely to happen under these conditions? I noticed also that Eh hardly seems to change from iteration 0 to 100 when the solution converged, no matter what concentration of the amendment is used. Is there a way to add your field measured Eh data in the Basis pane? Or can you only add it on a sliding scale in the Reactant pane? When I adjust the Eh in the reactants pane, the chromium does seem to precipitate out in the simulation, but it seems arbitrary for me to manually alter the Eh - I want to make sure that's what would be occurring in the real system as a result of the amendment. Does GWB automatically account for Eh changes as the result of a reactant with the system or does that need to be added as it's own reactant? I've attached the txt file script for the solution and the .rea file. Thanks, Ben React_output-React 25 mgL Ferrous Sulfate.txt MW-5S React_1-123016.rea
  19. I apologize in advance: I am far from familiar with GWB. The mix I'm trying to model is supersaturated in several Ca phosphate phases. Fluid A & B seem to equilibrate ok independently, but using pickup>reactants>Fluid A to react with Fluid B is not working for me. The popup-error seems to suggest the components need to be the same on both solutions -not sure if this is the case-. Modeling the solution as a single event is confusing because it looks like I can't choose CO3--, CH3COOH- and H+ simultaneously. (I am also confused by the requirement of equilibration with O2 for only 1 of the 2 fluids above.) Loading the fluid scripts one after the other and then running the equilibration, produces results albeit including several warnings of charge imbalance (which I expect) and the elimination of CO3-- from the basis; I am not sure this represents the mix I want. I haven't considered modifications to the default activities calculation, but this may be important for this example. Input is appreciated! MC FluidA.rea FluidB.rea
  20. Using the 'alter' command in react is a very convenient way to test the impact of thermodynamic data variability on modelling results. Unfortunately the command seems to be restricted to equilibrium constants. Is there any way to use the command for Pitzer ion interaction coefficients as well?
  21. Hi all, I have got a simple question regarding to mixing of multiple fluids. I’m sure that I must have missed something, so I just wanted to check. I have the composition of three end-member solutions (Solution 1, 2, 3) that would be mixed to produce composition of Solution 4. Say 20%, 30% and 50% of Solution 4 is from Solution 1, 2, 3 respectively. I have the composition of all Solution 1, 2, 3, 4. Essentially I would like to check the mixing fraction through React (at which I have calculated manually) to see whether it gives me a good match for the solution 4 composition. I would like to run this mixing reaction through the REACT model to get the final concentration of Solution 4 with the known composition and mixing fraction of Solution1-3. But from my understanding, is it correct that I can only mix/react one solution with another one at a time on REACT? And of course if I run reaction of solution 1 and 2, pick up>reactant>fluid to react with solution 3 will not give the answer that I wanted since it’s a different mechanism. I have tried GSS where I can mix all three solution all at once. But when I did a test run of only mixing two solutions on GSS, it gives different results from reacting two solutions on REACT. So two questions: What is the best way to do fluid mixing of more than two solutions that accounts for different mixing fraction? What are the difference between GSS mixing function and React? i.e. say if I’m to mix two solutions together. Thank you very much for your help. Have a lovely day. Cheers, Charis
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