Re: [dwsim-users] (no subject)
Simulate chemical processes using advanced thermodynamic models
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From: Hector P. <hpe...@gm...> - 2016-08-20 00:48:17
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Daniel, I did that and got reasonable results. I tried 0.01 M HCl and got a pH close to 2 (2.31). Azeotrope VLE data for HCl/Water still doesn't match, but it's nice to be able to do pH calculations. I also tried it with 2M NaCl and got a pH of 7.27, which is close to the right value of 7. Thanks, Hector On Fri, Aug 19, 2016 at 7:23 PM, Daniel Wagner <dan...@gm...> wrote: > Hi Hector, > > The solver is still having some issues with parallel reactions. While I > work on it, you can either choose to remove the water dissociation reaction > or put it together with the salt one. > > Regards > Daniel > > 2016-08-19 20:04 GMT-04:00 Hector Perez <hpe...@gm...>: > >> Hi Daniel, >> >> I have attempted to replicate the electrolyte simulation from the wiki >> page using the latest version of DWSIM 4 (version 10). Water calculations >> are working well: pure water has a pH of 7 and as I change the Hydron >> molarity, the pH changes accordingly. Unfortunately, once I add 2 M NaCl >> with the same initial compositions as in the wiki, the solver fails to >> converge. Everything looks the same as in the wiki, but the new equilibrium >> stream composition is not updated, nor is the pH calculated right. Let me >> know if I'm missing something. >> >> Thanks, >> >> Hector >> > > |