DWSIM - Open Source Process Simulator / Discussion / Python Scripting: Molar flow rate profile for PFR

Mykhailo Vilboi - 2023-09-10

Hello, everyone! Is there way to build a molar flow rate profile for each species in PFR, or at least to build an overall volumetric flow rate profile, so I can calculate molar flow rates using concentrations?

I have found this script https://sourceforge.net/p/dwsim/discussion/windows_newui/thread/cc6de4f01c/ ,
but this is not quite what I need. I need molar flow rates not molar fractions or concentrations.

Thank you in advance!

Last edit: Mykhailo Vilboi 2023-09-10

If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
- Daniel Medeiros - 2023-09-11
  
  Do you know how to convert molar fractions or concentrations to molar flow rates? You can get the overall rates with
  
  stream = Flowsheet.GetObject('inletstream') mflow = stream.GetMolarFlow() vflow = stream.GetVolumetricFlow()
  
  If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
  - Mykhailo Vilboi - 2023-09-11
    
    Hello Daniel! Thank you for your responce, and for amazing work you do on DWSIM!
    
    Thing is that I need molar flow rates for each component at each increment along the length of PFR. I do not need flow rate of inlet stream. Essentially I want to build the same graph as the "concentration profile", but instead of concentrations I want to use molar flow rates.
    
    On the screenshot attached you can see, that there are parameters I need in solution inspector (Compound mole flows, mol/s), which are calculated on every step. I just do not know how to pull it out using Python, because it is inconvenient to copy them to excel manually for 100 steps.
    
    Last edit: Mykhailo Vilboi 2023-09-12
    
    Screenshot_1.png
    
    If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
  - Mykhailo Vilboi - 2023-09-20
    
    Hello Daniel, I am sorry to bother you, but I am afraid you missed my previous reply.
    
    Thank you in advance.
    
    If you would like to refer to this comment somewhere else in this project, copy and paste the following link:

Daniel Medeiros - 2023-09-22

Add a chart to the flowsheet, and set it to display the PFR profile. Then, after the flowsheet is calculated, right click the chart and select "Copy Process Data to Clipboard".

Paste the data elsewhere and you'll get the concentration profile for each compound in mol/L. Sum all the concentrations to get the overall molar flow at each volume step and use it to calculate the molar fractions.

If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
- Mykhailo Vilboi - 2023-09-24
  
  Thanks again for your responce, Daniel!
  
  Again, I already khow how to calculate molar fractions, however this is not my goal.
  
  I need molar flow rate (mol/s) at each step for each component.
  
  It is clear to me that solution inspector calculates it somehow, because it displays it(see screenshot), and I just want to extract this information using script.
  
  Screenshot_2.png
  
  If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
  - Daniel Medeiros - 2023-09-28
    
    Hi Mykhailo,
    
    I think that it is clear now for me, sorry. Can you wait for the next update in two or three weeks?
    
    Regards
    Daniel
    
    If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
    - Mykhailo Vilboi - 2023-09-28
      
      Thank you, Daniel!
      
      I'll be waiting for your solution.
      
      If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
    - Mykhailo Vilboi - 2023-10-29
      
      Dear Daniel,
      
      Have You been able to tackle my problem regrding molar flow rate profiles yet?
      
      Kind regrds,
      Mykhailo.
      
      If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
      - Daniel Medeiros - 2023-10-30
        
        Yes I did, didn't you check latest update?
        
        If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
        
        Mykhailo Vilboi - 2023-11-03
        
        Thank you Daniel!
        I can now see the "Export profile to new spreadsheet" button.
        However, for some reason it exports full set of parameters (MolFrac, MassFrac, MolFlow, MassFlow, MolConc, MassConc) only for the last compound in the list, in my case its water. For every other compound it exports only MolFrac. Maybe it is a bug?
        
        Screenshot_2.png
        
        If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
        
        Daniel Medeiros - 2023-11-03
        
        I'll check it
        
        If you would like to refer to this comment somewhere else in this project, copy and paste the following link:

Daniel Medeiros - 2023-11-03

Extract this 7z file in DWSIM's installation directory to replace DWSIM.UnitOperations.dll.

Last edit: Daniel Medeiros 2023-11-03

DWSIM.UnitOperations.dll.7z

If you would like to refer to this comment somewhere else in this project, copy and paste the following link:

Molar flow rate profile for PFR

Simulate chemical processes using advanced thermodynamic models

Forums

Help

Molar flow rate profile for PFR

Molar flow rate profile for PFR

Simulate chemical processes using advanced thermodynamic models

Forums

Help

Molar flow rate profile for PFR document.SUBSCRIPTION_OPTIONS = { "thing": "topic", "subscribed": false, "url": "subscribe", "icon": { "css": "fa fa-envelope-o" } };

Molar flow rate profile for PFR