Since some compounds are not present in the libraryof DWSIM so I manually added them using the compound creator utility (CCU).
1. Gave the SMILES structure.
2. Input the no. of -CH3-, etc components in UNIFAC
Now, it was assigned few of the properties automatically. But the problem is that, they are different from the real properties for some of the compounds.
So, I wish to ask you what properties should I manually add so that the compound behaves in a real manner for the simulation of distillation process.
Also is there a way to find the diameter as well as the height of the distillation column used.
Thanks
Last edit: Prashant Kumar 2016-05-26
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Hi,
did you read the help? I think your questions will be answered there.
Generally speaking: If you define your component through UNIFAC groups, your Joback groups are generatred automatically. But you should also define MODFAC groups to be able to utilise these property packages. With your Joback groups all necessary properties are estimated automatically. If you have your own data available from literature or some lab experiments you should replace the estimated ones (uncheck the box near the edit field).
Gregor
If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
Since some compounds are not present in the libraryof DWSIM so I manually added them using the compound creator utility (CCU).
1. Gave the SMILES structure.
2. Input the no. of -CH3-, etc components in UNIFAC
Now, it was assigned few of the properties automatically. But the problem is that, they are different from the real properties for some of the compounds.
So, I wish to ask you what properties should I manually add so that the compound behaves in a real manner for the simulation of distillation process.
Also is there a way to find the diameter as well as the height of the distillation column used.
Thanks
Last edit: Prashant Kumar 2016-05-26
Hi,
did you read the help? I think your questions will be answered there.
Generally speaking: If you define your component through UNIFAC groups, your Joback groups are generatred automatically. But you should also define MODFAC groups to be able to utilise these property packages. With your Joback groups all necessary properties are estimated automatically. If you have your own data available from literature or some lab experiments you should replace the estimated ones (uncheck the box near the edit field).
Gregor