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Brian Farrell

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Brian Farrell last won the day on August 16 2019

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  1. Hello Jerome, I realize this post is quite old, but I happened to come across it and realized some updated information might be useful. In your post from March 1, 2019, you show formation reactions for O2 and H2 and their log Ks, as taken from Thermoddem's phreeqc-format dataset (the first two of three reactions you provide). You claimed these are for formation of the gaseous species, but they are undoubtedly for aqueous species. I couldn't comment on the contents of the phreeqc data at the time, but I am more familiar with phreeqc datasets now. The first two reactions you supplied a
  2. Dear GWB users, A problem was detected reading in thermo dataset entries that were edited by hand in a text editor when tabs are used in place of spaces in an entry, such as between a mineral's name and its type: Calcite type= carbonate formula= CaCO3 mole vol.= 36.9 cc mole wt.= 100.0892 g The user would receive an error like "Could not suppress Calcite" or "Could not identify reactant species Calcite". The issue has been fixed and a release candidate installer is available to get affected users up and running right away: GWB 15.0.1rc1
  3. Hi Karen, We've made a fix to the problem you've encountered. Please download and install this "release candidate" and try using your customized thermo dataset. 15.0.1rc1 installer I don't know why X1t would crash for you, but if it happens again you might try reinstalling and restarting your computer. And you can also try recompiling your rate law function after reinstalling 15.0.1rc1. Please let us know if you have any more issues and we'll work to fix them as soon as possible. Regards, Brian
  4. Hi Karen, We put a lot of work into adding flexibility to thermo datasets and improving TEdit, but unfortunately we introduced a problem handling minerals that include tabs, rather than spaces, in their entry. Assuming you're using the same thermo dataset that you had trouble modifying previously, I've gone to your Na2EX2 and CaEX2 additions and simply replaced the tab characters between the name and type fields with spaces. If you have made more modifications, you can make a copy and replace the tabs with spaces by hand, or do it automatically with an editor like Notepad++ (go to Edit &g
  5. Dear GWB12 users, We are pleased to announce our latest maintenance release for GWB12, GWB 12.0.7. The 12.0.7 update provides a fix to calculated analytes in GSS when temperature is given in Fahrenheit; fixes a bug saving Pcrit, Tcrit, and omega in TEdit; and provides fixes for all known issues. Update from 12.0.0-12.0.6 at no charge to ensure you have all the newest features and bug fixes. Existing installations should automatically update to this release, unless auto-update is disabled. In that case, users should update their installations from the Help menu of any GWB app.
  6. Dear GWB users, We have good news to start the year: GWB 2021 is here! GWB 2021 brings SIT activity coefficients, an all new thermo data editor, the ability to import thermo datasets from PhreeqC, and much more! Your GWB subscription will upgrade automatically within three days, or simply click “Check for updates” on the GWB dashboard. Not subscribing yet? Take advantage of one of our flexible plans or upgrade that old GWB license to a modern subscription. Contact us today for a quote, or go shopping at our online store and you’ll be up and running in minutes. Sincerely,
  7. Hi DI Xie, Can you please provide a screenshot of the error message that you receive when you try to deactivate? Thanks, Brian Farrell Aqueous Solutions
  8. Dear GWB users, We completed some updates for the forum software earlier this week. If you were not able to post while it was undergoing maintenance, please try again now. Regards, Brian Farrell Aqueous Solutions LLC
  9. Hi, Act2 only displays samples whose temperature is close to that of the diagram you've calculated (+/- 10 C). The samples at 76 C plot because the diagram is drawn at 76 C, but the samples that are 30-40 C will not plot. Regards, Brian Farrell Aqueous Solutions LLC
  10. Hello, Density of electrolyte solutions is not calculated in most geochemical modeling programs. It's secondary in importance to species distributions, saturation indices, and so on, but it's our opinion that a simple calculation is better than nothing. The Phillips correlation described above, which is the default method for GWB12 and older releases, was designed for geothermal applications, so it works best at higher temperatures and salinities. The correlation is known to be valid for NaCl solutions from 10 < T < 350 °C, 0.25 < m < 5 molal, and P < 50 MPa and greater tha
  11. Dear GWB users, We are pleased to announce our latest maintenance release for GWB subscribers, GWB 14.0.1. The 14.0.1 update improves appearance of legend box in scatter data plots; fixes an issue when several ChemPlugin instances share an ion exchange dataset, resolves a reliability issue in pause/resume feature in X1t/X2t, updates Rxn's outblock feature, resolves basis swapping issue when using Davis-Leckie polydentate formalism, and provides fixes for all known issues. Update from 14.0.0 at no charge to ensure you have all the newest features and bug fixes. Existing install
  12. Dear GWB users, We are pleased to announce our latest maintenance release for GWB12, GWB 12.0.6. The 12.0.6 update improves the appearance of the legend box in scatter data plots; fixes an issue when several ChemPlugin instances share an ion exchange dataset, resolves a reliability issue in pause/resume feature in X1t/X2t, updates Rxn's outblock feature, and provides fixes for all known issues. Update from 12.0.0-12.0.5 at no charge to ensure you have all the newest features and bug fixes. Existing installations should automatically update to this release, unless auto-update i
  13. Hi again, This issue was previously fixed with the release of GWB 14.0.0 for GWB subscribers. It is now available in the latest maintenance release for GWB12, 12.0.06. Regards, Brian Farrell Aqueous Solutions LLC
  14. Hi Silvain, As long as you don’t specify “free” or choose a unit that implies a free constraint (e.g. activity or pH), your constraint is for the bulk concentration of a component. To test this out, fire up SpecE8 and enter HCO3- = .001 molal pH = 6 Na+ = 1 molal balance on Cl- go You can look in the text output file to see the concentrations of several carbon species: CO2(aq) has the highest concentration at .0005060 molal, then in decreasing abundance HCO3-, NaHCO3, CO3--, and NaCO3-. Add them up and you’ll find the molal concentrations will sum to .001 molal, which is
  15. Hi Polly, For the two-layer surface complexation dataset, you need to specify a site density or densities for each sorbing mineral. If you don’t, the program can’t account for the existence of the surface. If Ferrihydrite contains both of the sites you defined, >(w1)SOH and >(w2)SOH, your entry might look like this: Ferrihydrite surface area= 600.0000 m2/g 2 sorption sites >(w1)SOH site density= .0050 mol/mol mineral >(w2)SOH site density= .2000 mol/mol mineral You should, of course, supply values appropriate for your
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