Physical property estimation
Thread Content
How to calculate substances that are not present in the database (and for which no groups either exist), that is, how to edit groups on your own! !
Draw it yourself in Chenwindow, then save it as a MOL file and import it into ASPEN; select the properties that are missing for estimation during the property calculation, and the software will handle the rest
Create a new one and set the connection method between atoms yourself
I think maybe it should be changed on top of what already exists! !
A generic input method can be used, one that doesn’t require entering the groups. Only enter the atomic type (H atoms are ignored) and the type of chemical bonds between the atoms
Is the group not present? Then what is that compound? Try specifying a component yourself.
I have already uploaded the lecture PPT. ““Property Estimation (Lecture Notes)” – you can restore it to a PDF file by downloading it and removing the .bkp extension
Download the molecular formula file of your substance from the Internet (.mol format), and it can be imported directly in custom substances