What if the component library included in ASPEN doesn’t have the substance I’m looking for?
Thread Content
I want to use ASPEN to simulate reactive distillation, but the database doesn’t contain the substance I need (propylazide, C6H12N2). I’d like to add it myself, but I’m not very good at doing that, and it’s difficult to find the basic physical properties of this substance – they’re not available in any manuals. I was wondering if it’s possible to estimate those values somehow. I hope experienced users can help; anyone who has come across this substance or knows a solution would be greatly appreciated. Thank you. .
It can be estimated using physical properties; check the user manual or search for tutorials online
If it is merely a theoretical paper, based on assumptions, estimates can be used. However, when designing a production facility, accurate data is necessary. It is recommended to conduct experiments to determine the basic gas-liquid equilibrium data
Reply to 3# Albertlu: I don’t know how to determine the vapor-liquid equilibrium under high pressure Could you give some advice?
A mol file can be created in ChemOffice and imported directly into Aspen for property estimation. The basic data needed for estimation can be found by searching via CAS
Reply to 5# zzuwangshilei: I’d like to ask gently, how do moderators perform CAS searches?