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p.m.berger

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Everything posted by p.m.berger

  1. I now see the difference in the command is really in the direction of the slashes. If the command to read thermo dat uses \ in the path then everything is fine. If it uses / then the file is read in correctly, but the dialog stops working. Peter
  2. In any of the programs, when I specify a new thermo database at the command pane or in a script, the "File->Open->Thermo Data" menu item no longer brings up a file selection dialog box. The menu/dialog box work fine as long as I use them exclusively. Thanks, Peter
  3. Thanks for the reply, So the water activity results are different from the species activity results? The activity reported for species are act_coef*molality and not act_coef*(mole fraction). Aqueous species molality mg/kg sol'n act. coef. log act. --------------------------------------------------------------------------- Na+ 2.265 4.598e+04 0.6761 0.1850 Peter
  4. Hello, I am trying to use SpecE8 to calculate chemical potential and so need the activities of everything in solution, including water. Can someone clarify if the command "report Watact" reports the activity of water as it specifies in the GWB reference or the activity coefficient? The moles of water in 1 kg is roughly 55.5 but the report command for a dilute system returns 0.999... That would imply the 55 moles have an effective concentration of less than one. Or are solvents treated differently? Assumed to have a base activity of one, or scaled to one mole? Thanks, Peter
  5. Hello, I'm trying to run X1t in with some optimization software and it seems to crash when I try using a report command on an simulation that doesn't converge. React gives me "--Error: Run not finished" in a similar situation but X1t just quits. Thanks, Peter
  6. Is the pause "ctrl+break" still functional in X2t if you want to continue a run afterwards? I'm doing simulations and sometimes want to see how they are going early on, but if I pause and plot the early results then hit continue I get several "Newton failed at node..." messages and it abandons the simulation. Thanks, Peter
  7. Is there a way to do kinetic isotopic exchange as in Druhan et al. GCA 2013? I have a system that recrystallizes calcite due to hot fluid circulation and I've read some papers that look at closure temperatures for isotopes. Currently I have a kinetic transformation from a (segregated) low ordered to a (unsegregated) hydrothermal calcite. I was just wondering if there was a cleaner way. Crunchflow, as used in the original paper, doesn't do heat flow for some reason and so isn't an option. Thanks, Peter
  8. There should be an example in the documentation of writing a script that solves for a rate constant of quartz. Peter
  9. Hello, I tried using a library for setting permeability. I can specify the file if it is in the current working directory and I don't have to specify a file path. However, when I do specify a file path I get "Error: can't load library D" where D is the drive that contains the file. This seems to fail if I use either the command line or GUI. Thanks, Peter
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