Juan Carlos Burillo

Hi Brian, I will set up the single model by adding new new surface reactions to the dataset and I will get Kf and nf in sorption readings. Sections you mentioned explain exactly whay you post it before.. Conclusion: Create a new template in TEdit for model with SpecE8 implies working with datasets. Once again thanks a lot for your help Regards, Juan

Hi Brian: Thank you for your fast response. I will try to set up a single model as you said. Looking for information in literature about polymer I may use Freundlich isotherm. Reading the GWB Essentials guide I have found that to invoke Freunlich isotherms, I must prepare a dataset of surface reacttions, using file "Freunlich.sdat" as a template. Please explain me how to prepare this dataset. Within TEdit- Freundlich.sdat ian see >Ni++, >Pb++ and >Sr+++ as default parameteres, I would like to include As and Zn too. Best regards Juan

Hi Brian: We would like to model Zn and As sorption on smart polymers. React can model sorption onto mineral surface but we would like to know if we can use it for modeling onto a smart polymer. We are working with chitosan crosslinked with formaldehyde sinthesis and we are going to set Equilibrium Isoterm Tests with it. Zn-As Aqueous phases come from Acid Mine Drainage(AMD) produced in lab. We want to graph % analyte adsorbed vs pH, we would like to model adsorption using Langmuir, Kd or Freundlich isotherms. A graph of model with GWB and measure data (lab) sorption would be very interesting for us. I expect you can help us Best regards Juan

Hello Katelyn, I apologize to answer until now. Thank you very much for your help. This is exactly what I was looking for. Best regards Juan

Hello Katelyn: Word file is too big, I am sending you 2 files I ran with REACT. Kind regards Juan Calcita precipiatada al desgasificarse CO2 a 60 C.rea Geotermometria pH vs Temperatura para un fluido geotermal.rea

Hello Katelyn, Thank you for your prompt response. As you mentioned I really want to prevent over writing my settings, when you say "unique name" that means that all gtplot_conf.gtc would have the same name. I´ll try to explain in more detail what I´m trying to do. I only want to mantain the form of the graph that it has before I close the file. I´m sending you a Word file with the runs i have made with REACT. Some graphs look nice opening gtplot_conf.gtc, others opening React and launching to Gtplot Thanks for the route File> Open > Configuration, I am going to use it once I define a unique name. Kind regards Juan

Hello Katelyn, I ´m praticing with React so I created a new directory and saved the files in it. I saved a file as a React Input file (rea extension), open Plot results pane, edit axes and save the graph as gtplot input file (gtc extensión). I did the same with new files. When I reopen the files I noticed that axes was changed or no graphs was found. So I would like to keep the configuration in every file, not to its default state but with the same configuration before it was closed. I read the text "Loading and saving plot configuration" , I think reset configuration erase the information in the file as a new file. Thanks a lot for your support. Best regards Juan.

Hello Katelyn, Thank you very much, it Works !!!, I´m going to modify the existing dataset and save it to a different name. Also, I am going to load it into GSS and set it to be the new default water quality standard file. Best regards Juan

Hello Katelyn I appreciate that you could help me. I want that GSS reads regulatory limits base on Mexican satandars, I think I must create a similar file,dat going to gwb -> Gtdata -> WaterQualityRegs.dat Thanks a lot Juan.

Hi Brian, I´ve found that It´s easy to actualízate or mantain plots using the rute: File > update plot data ; x-y plot configuration consider "All minerals" or "Ca++, Zn, SO4-- minerals", so you can view on the graph all minerals curves or a few ones, it´s up to your needs. Also "hide this mineral" option fits the graph according to your objetives. Best Juan

Hi Brian, I need your support on plottind my data. Using GSS I launch to SpecE8 and obtain a Gtplot that can be a Piper plot or a SI plot which graphs all minerals. As all minerals appear I hide some of them to obtain a better graph. When I reopen the Gtplot file all minerals appear again. I´d like to mantain the graph in the same shape when I reopen the file. Same situation happens when I plot other graphs like React. I think the program "remembers" the last X-Y editing axes and reuse it on the next plot. Best regards Juan..

Hi Brian, Thanks again, you were right, I made the changes you suggest and identical graphs appear magicaly!!!. As you say "diagram species" are really important to model with Act2. I am attaching a graph that explains us correctly the main species that dissolve when react a minetailing sample with ID water during 18 hr water shaking.. Our next step will be to react the fluid that is obtained after shake process (as initial fluid) with minerals found in soil and rocks To be continue... Best, Juan extracción secuencial con agua desionizada.rea

Hi Brian, I apologize for the delay in responding. I was in water sampling performances. I also think that thermo data must be changed or equilibrium constants modified /add temporaly. I appreciate the specific seccions of the GWB Essentials Guide and GWB Reference Manual you share us. I am studyng the sections you recomended us on the Guides. I am attaching a picture of the diagram I¨m trying to reproduce. GWB 10.0 pictures are included too. Best regards Juan arsenopyrite.docx

Hi Brian, Very helpful !, thaks again for your help. I will try to change plot type with your support. I am trying to reproduce an EH-pH diagram I founded in an article where Act2 was used, I used same pressure.temperature and log activities conditions include in the article but I didn´t find jarosite-K, Piryte and Gypsum, nevertheless the graph is very similar. As (arsenic) species at low pH formed as expected. Also I tried to plot an pH-Eh diagrams using Zn and Pb species. I attached these files Best regards Juan arsenopirita.ac2 anglesita.ac2 anglesita en agua desionizada.rea esfalerita.ac2

Hi Brian, I want to thank you the explanation about specify the amount of minerals in the model, In this case we want to simulate a process so the amount is important for us. I also appreciate your support about the use of the comand "free", I thought it was on the contrary´. Thank you for your help. Can you help me to attach a file into the Fórum? Best regards Juan

Hi Brian, I tried to use React. I specified an initial oxidized fluid (DI wáter ) and swapped to anglesite, jarosite, kaolinite and barite, and reacted 5 cm3 of Gypsum but the program doesn´t converge The program converge by swaping Quartz for SiO2 only and using Reactants Pane react 5 cm3 of gypsum and 1 cm3 of anglesite, jarosite-K, kaolinite, quartz, barite and gypsum. Also simulate 18 hr test using start-end Basic Pane was useful. Reviewing Results gypsum is a nonestable mineral, its SI changed after 6 hours simulation from unsaturated to saturared as expected. If I open Plot results Pane I found a Piper diagram, I´d like to plot a diagram like 2.2 example: React 400 mg of K-feldspar: Minerals (grams) vs K-feldspar reacted (mg) with my results. Best regards Juan

Hi Brian, We used specE8 to set up the equilibrium model and we founded Mineral Saturation States results: anglesite > barite > gypsum > anhidrite > quartz. Same results were obteined with xRD: gyspsum >>> jarosite > quartz. The initial fluid we used was the "extract" obteined after shake with wáter. The idea is to use deionized wáter as an initial fluid and react it with those minerals. To construct a model using React I have noticed that examples arbitrarily specifiy the amounts of the minerals that coexist with the wáter. The question is: How can we specify the better amounts to construct the model?. We could use: react 100 mg of gypsum, 5 mg of quartz or 1 free cm3 gypsum Best regards Juan

Hi, Using REACT we want to trace dissolution of arsenopyrite into a wáter in equilibrium with gypsum, jarosite and quartz and calculate the minerals that might dissolved within the shake extraction of 1 gram minetailings waste sample into 20 ml of deionized wáter for 18 hours. We have wáter analysis results after shake extraction and xRD waste results before and after shake extraction. The main minerals found in both xRD are gysum, jarosite, quartz, kaolinite and muscovite. We have 10 wáter analysis in the GSS spreadsheet, we want to launch to SpecE8 and React program