A client of mine produces a 5-phenyl ring material as a high performance material, where one of the compounds is 5-phenyl ring structure, where n=3 (see attachment). I want it model a continuous distillation system.
DWSIM has an option to model compounds by building its structure from pre-determined components. But -- I don't see phenyl rings there. How do I go about using this method?
Hi,
the depicted molecule is a polymer and should be defined as a solid with help of the wizard.
As an alternative i created a (monomer)compound with by compound creator with two rings beeing connected.
Problem: This compound can't be definied by UNIFAC/MODFAC as the required group "ACO" is missing in these models. Therefore only Joback-groups were definied directely. This allows to estimate physical properties of this compound.
I hope this helped?
Hello --
DWSIM has an option to model compounds by building its structure from pre-determined components. But -- I don't see phenyl rings there. How do I go about using this method?
Thanks!
Hi,
the depicted molecule is a polymer and should be defined as a solid with help of the wizard.
As an alternative i created a (monomer)compound with by compound creator with two rings beeing connected.
Problem: This compound can't be definied by UNIFAC/MODFAC as the required group "ACO" is missing in these models. Therefore only Joback-groups were definied directely. This allows to estimate physical properties of this compound.
I hope this helped?
Gregor