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Geochemist's Workbench Support Forum


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About bine

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  1. Dear Brian Farrell, thank you for your quick reply and for fixing this task in the next maintenance release for version 9. We`ve already been thinking about perchasing an upgrade for our version 8. The idea with the free concentration for OH- is a good one. I will try it out for my next calculations. Best regards, Christiane
  2. Dear support team, recently I am having trouble in calculating the solubility of Th(OH)4(am) depending on the carbonate concentration. The parameter file works well if I only include either carbonate without thorium or thorium without carbonate. If I include both I get the message "React stop: calc_hmw: max charge too large". With the help of a colleague I figured out that this is probably caused by the species Th(CO3)5(6-). I am using react version 8.0.12 and colleague using version 9 had the same problem. Do you have any idea how we can solve this issue? Thanks in advance for your help! Best regards, Christiane Th_CO3_titration.rea
  3. Hello Tom, I have a question regarding the treatment of the Pitzer parameters alpha1 and alpha2 in GWB. In Craig`s book "Geochemical and Biogeochemical Reaction Modeling" (2nd edn) I find the following equation in Table 8.1 on page 125 (under step 4): BMX = beta0 + beta1 * g * (alpha1 * sqrt(I)) + beta2 * g * (12 * sqrt(I)) Is it correct, that the "12" represents the value of alpha2 and is it fixed to that value for every possible cation-anion pair? This would imply that the alpha2 values given in the parameter file are not really used? Thanks a lot for your help, Christiane
  4. bine

    react-decreasing water mass

    Hello, so far, I´m not too experienced with GWB but I do think it is a very capable program (I use version 8). Recently, I did some calculations about minerals precipitating in chlorine solutions. In these calculations, the water mass decreases during the simulations while the minerals incoporate water in their structures (I guess it`s due to that). Is there any possibility to keep the water mass constant anyways during simulation? Thanks a lot for your help, Christiane I attach a script and the thermo_hmw database (though I made no changes on it). cacl_gypsum.rea thermo_hmw.txt