Re: [dwsim-users] extended UNIQUAC model for HNO3-Water

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

Hi Hector,

I highly doubt it would work, the Extended UNIQUAC model in the paper and
the one in DWSIM are not the same, so the interaction parameters are
probably different.

Did you try using a CAPE-OPEN package (from ChemSep, for instance)?

H3O+ is not included in DWSIM, I don't know if it is the same as H+ from a
simulation point of view (i.e. same properties).

Regards,
Daniel


2016-07-22 12:34 GMT-04:00 Hector Perez <hpe...@gm...>:

> Hi Daniel,
>
> I've tried to replicate the data in the attached paper for HNO3-Water VLE
> using the extended UNIQUAC model. I've imputed the interaction parameters
> in this paper into DWSIM. Unfortunately, DWSIM is unsuccessful in
> predicting the azeotrope (seen in the TXY diagram). I've attached both the
> DWSIM 3 and DWSIM 4 files. I included the HNO3 dissociation reaction into
> the reactions manager, but noticed that I get the same TXY diagram
> regardless of whether I include this reaction or not.
>
> One other question I have is: Is H+ treated the same as H3O+ ? I noticed
> that H3O+ is not included in DWSIM.
>
> Thanks,
>
> Hector D. Perez
>