3 replies to this topic

[0xCE]

Hey there!

I would like to do a simulation with NaBH4 and NaBO2. The reaction of NaBH4 with H2O to NaBO2 should be simulated. However, I get many error messages because Aspen does not have all substance properties. But first to the following message:

For each component I get the error "STRUCTURE FOR COMPONENT HAS NOT BE DEFINED. PCES CANOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES".
 

  *   WARNING IN PHYSICAL PROPERTY SYSTEM
      PROP-NAME RENON FOR COMPONENT PAIR NABH4 AND NABO2
      CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
      BECAUSE OF MISSING INPUT PARAMETERS:

         STRUCTUR, GMUFR   , GMUFQ

I would like to calculate the solubilities first and I have experimental data for this, but Aspen does not show me any results for the solubility analysis. Probably some data is missing but I don't know where to enter it.

Is it possible to define solubilities for components? e.g. NABH4 in H2O.

 

Thanks for your help!

Edited by 0xCE, 11 May 2021 - 06:24 AM.

[0xCE]

OK so my problem is: Aspen cannot calculate the solubilities of the substances used. I have experimental data for the solubilities and would like to enter them. Where can I do this?  
 

[ChinmoyBasak]

Try to find if the molecule is present in the any of the Aspen database. (You have to search all the databases I think)

[StealthProg]

I suggest you go on a training course that covers thermodynamics in A+.