Re: [dwsim-users] reactor application - ethyl acetate

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

Hi Hector,

By following the Aspen Plus video I was able to make it work, there is no
reverse reaction. Also, there was a bug in the PFR pressure drop
calculation, you'll have to use an updated build. Download it from this
link and unpack the files in DWSIM's installation directory:
https://sourceforge.net/projects/dwsim/files/DWSIM/DWSIM%203.7/Build5960.rar/download

Also, I forgot to tell you that, for kinetic reactions, every compound in
the reaction must be present even if in a small amount, i.e. 0.000001. 0
will give you an error.

You can also try the updated simulation file, I've added the equilibrium
reactor as well.

Regards
Daniel


2016-04-26 18:17 GMT-04:00 Hector Perez <hpe...@gm...>:

> Hi Daniel,
>
>
>
> For kinetic reactions, what are the units on the activation energy? (same
> units as those specified for the molar entropy?). I included the DO and RO
> exponents as well as the base compound and now get a new error on the CSTR:
> “An error occurred during the mass balance calculation. Check reaction
> kinetics data and reactor sizing information as well.”
>
>
>
> The PFR gives me the error: “One or more flash specification values are
> invalid. Please check the associated UO or Material Stream for incorrect
> specifications or miscalculated values.
>
>
>
> Thank you, I really appreciate your assistance.
>
>
>
> Hector D. Perez
>
>
>
> *From: *Daniel Wagner <dan...@gm...>
> *Sent: *Tuesday, April 26, 2016 3:59 PM
> *To: *Hector Perez <hpe...@gm...>
> *Cc: *dws...@li...
> *Subject: *Re: [dwsim-users] reactor application - ethyl acetate
>
>
>
> For the existing reactions, you've missed the compound concentrations'
> direct and reverse order exponents. You also didn't define the base
> compound, which should be the main reactant.
>
>
>
> For the conversion and equilibrium reactors, you must define the
> corresponding reactions. Kinetic reactions only work with the PFR and the
> CSTR.
>
>
>
> 2016-04-26 16:43 GMT-04:00 Hector Perez <hpe...@gm...>:
>
> Hi,
>
>
>
> I am trying to replicate the following ASPEN tutorial to set up the liquid
> reaction for ethyl acetate formation from ethanol and acetic acid using
> different types of reactors:
>
>
>
> https://www.youtube.com/watch?v=_DOdlUDI-kI
>
>
>
> Unfortunately, only the Gibbs reactor yielded any result with a ethyl
> acetate flow that was 12 kmol/hr lower than the ASPEN simulation. The only
> differences I can see is that the ASPEN simulation uses the NRTL-hoc,
> whereas my simulation uses NRTL.
>
>
>
> The conversion reactor had zero conversion and both the PFR and CSTR
> reactors gave the error: "The given key was not present in the dictionary."
> I'm not sure what this means. I tried different thermodynamic models
> besides NRTL with no avail.
>
>
>
> I will send my simulation file attached.
>
>
>
> I would really appreciate any light on the matter.
>
>
>
> Obrigado!
>
>
>
>
> Hector D. Perez
>
> Chemical Engineering Consultant
>
>
>
>
>
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