Re: [dwsim-users] (no subject)

[<dan...@gm...>]

I'm really happy with the current code, I feel I'm finally on the right path after some years of failed attempts... 


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On Fri, Aug 19, 2016 at 8:48 PM -0400, "Hector Perez" <hpe...@gm...> wrote:










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.
RegardsDaniel
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