Re: [dwsim-users] (no subject)

[Hector P. <hpe...@gm...>]

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
>>
>
>