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[Enhancement] Nonadiabatic-Nonisothermal Operation Mode for Plug Flow Reactor

Open kookma opened this issue 4 years ago • 11 comments

Right now DWSIM 6.6 supports three modes (type of specs) for PFR simulation:

  1. Isothermic
  2. Adiabatic (e.g. Adiabatic-Nonisothermal)
  3. Outlet temperature (nonisthermal but rarely reflect a real case as it uses a linear change along the reactor)

Rival simulators also support Nonisother operation e.g. nonisothermal-nonadiabatic In this mode you can set an energy stream and reactor exchanges energy with surrounding e.g a shell side fluid.

kookma avatar Aug 17 '21 15:08 kookma

Is this related somehow? https://sourceforge.net/p/dwsim/discussion/844528/thread/9da7825834/?limit=25#edcd

DanWBR avatar Aug 17 '21 15:08 DanWBR

Is this related somehow? https://sourceforge.net/p/dwsim/discussion/844528/thread/9da7825834/?limit=25#edcd

Not, it is not! But the question come from one of student, and I appreciate your reply and links you provided to him through email, I got the forwarded email. Thank you very much!

I actually working on materials for next semester. There are few lectures on simulation reactors in DWSIM! My previous simulations are mainly on Hysys and Symmetry!

By the way, what I proposed is a real request for enhancement!

I would be happy to share all materials through GitHub once we finished!

kookma avatar Aug 17 '21 17:08 kookma

I like to contribute but the sad news is I am not familiar with .NET, so I can provide every details for you but I cannot implement the .NET side by myself.

kookma avatar Aug 17 '21 17:08 kookma

@kookma how should we model the energy stream calculations method? Fixed energy amounts for each section?

DanWBR avatar Aug 17 '21 17:08 DanWBR

Daniel, I am preparing a PowerPoint to show you how other rival software do this! But it seems they use Q as input and then apply it as uniform, so in any control volume (segment) a fixed amount of energy is applied!

This is I think similar to setting outlet temperature which a linear relationship is used!

kookma avatar Aug 17 '21 17:08 kookma

I send my proposal to your email! I compared with Hysys!

kookma avatar Aug 17 '21 20:08 kookma

General idea:

  1. PFR spec: Toutlet --> use a linear profile for T
  2. PFR spec: Q --> use a uniform head flux along the reactor

kookma avatar Aug 17 '21 20:08 kookma

Some good information in this regard plus Python code can be found here:

  1. https://github.com/jkitchin/f15-06625/blob/master/rxns-book/non-isothermal-pfr.org
  2. http://websites.umich.edu/~elements/5e/toc/index.html

Other resource

  1. https://processdesign.mccormick.northwestern.edu/index.php/Reactors

kookma avatar Aug 19 '21 09:08 kookma

With the release of 7.5.6, now DWSIM is more powerful than ever in simulating tubular reactor. Now if this enhancement is implemented, you can use DWSIM to simulate multi-reactions multi-components tubular reactor in below modes

  1. isothermal operation
  2. adiabatic operation
  3. nonadiabatic -nonisothermal operation

I would be happy to help in future release to add details for shell side, so you can simulate a real reactor like Methanol reactor where there is water in the shell and reactor acts like a shell & tube exchanger with reactions inside tubes.

kookma avatar Jun 09 '22 05:06 kookma

@kookma I can prioritize this if you or someone from your team become a Sponsor: https://github.com/sponsors/DanWBR

DanWBR avatar Jun 09 '22 12:06 DanWBR

Well sure! I send you some details through email! I would also be happy to help during development and test.

kookma avatar Jun 09 '22 16:06 kookma