DWSIM - Open Source Process Simulator / Discussion / Open Discussion: pH & Electrolyte MisUnderstanding

ioncube - 2018-07-10

@ http://dwsim.inforside.com.br/wiki/index.php?title=Setting_up_an_Electrolyte_Simulation
As per above tutorial I cannot find x2 things in latest versions

1] How do I import reaction set located in \Program Files (x86)\DWSIM5\data\reactions\Water Self-Ionization.dwrxm

2] I cannot undertsand how to reproduce For the molarity option, Water amount is entered in liters, while the salt and ion amounts should be entered in mols.

For the first I can manually initiate & type whole of equilibrium rxn data but 2nd is the major problem I cannot solve! Lets say I want to make 0.5M solution of HCl, so what quanities should I put in the HCl row further why is the solvent (H2O) row is greyed & autofills?

Lastly the Flash algorithm (Nested VLLE) I am using, will this suffice?

Last edit: ioncube 2018-07-10

PH.dwxmz

Screenshot_6.jpg

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Daniel Medeiros - 2018-07-16

Hi,

1) Use the reaction manager (check attachment)
2) It is simple: for a 2 M solution, enter 2 (mol) in the salt amount and 1 (L) in the water amount.

The Electrolyte Package has its own flash algorithm, no need to select/add one to the simulation.

Regards
Daniel

Last edit: Daniel Medeiros 2018-07-16

import_reactions.jpg

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- ioncube - 2018-07-17
  
  @Problem/Solution #2
  
  I have mentioned earlier that per instruction its simple but the water (solvent) row is greyed ..how do I edit it. Please check attached video (generated by ffmpeg)
  
  Last edit: ioncube 2018-07-17
  
  out.mp4
  
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  - Daniel Medeiros - 2018-07-17
    
    I'm sorry, you're right. The molarity input was corrected after a private conversation between me and Gregor (developer). The molarity definition is in mol solute per liter of solution, so when using water as the solvent, its amount will be calculated in order to close the compound mass balance according to the input volumetric flow and remaning compound molarities:
    
    https://github.com/DanWBR/dwsim5/blob/master/DWSIM.Thermodynamics/Editing%20Forms/Material%20Stream/MaterialStreamEditor.vb#L723
    
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    - ioncube - 2018-07-19
      
      Daniel, but its very difficult that way. Please provide an easy solution to set molarities (user-friendly manner)
      
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Daniel Medeiros - 2018-07-19

Suggestions are very welcome...

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- ioncube - 2018-07-20
  
  Daniel you don't need one! The previous method (input vol of solvent & moles of solute) was more than suitable (as was in tutorial)
  
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pH & Electrolyte MisUnderstanding

Simulate chemical processes using advanced thermodynamic models

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pH & Electrolyte MisUnderstanding

pH & Electrolyte MisUnderstanding

Simulate chemical processes using advanced thermodynamic models

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Help

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pH & Electrolyte MisUnderstanding