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

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

Hi Daniel,

Thanks for checking this. I haven't tired CAPE-OPEN because I wanted to see
if I could replicate this paper using the extended UNIQUAC parameters.

Hector D. Perez
Chemical Engineering Consultant

On Fri, Jul 22, 2016 at 12:28 PM, Daniel Wagner <dan...@gm...> wrote:

> 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
>>
>
>