Hello!

I'm trying to simulate polymer pyrolysis but I'm getting bogus results. I'm not even talking about chemistry, but a simple phase equilibrium. I don't even need to use RGIBBS since know the process yields from the literature but I want to account for whole process energy duty, including phase shift (melting and vaporisation). But for some reason I can't make it work and software simply won't account for liquid phase.

Also I'm having weird warnings for my properties:

* WARNING IN PHYSICAL PROPERTY SYSTEM

FUNCTIONAL GROUP GENERATION FOR THE UNIFAC METHOD CANNOT BE COMPLETED

FOR COMPONENT ETHYL-01. THE FOLLOWING ATOMS WERE NOT MATCHED:

C 1 C 2

* WARNING IN PHYSICAL PROPERTY SYSTEM

FUNCTIONAL GROUP GENERATION FOR THE UNIF-LBY METHOD CANNOT BE COMPLETED

FOR COMPONENT ETHYL-01. THE FOLLOWING ATOMS WERE NOT MATCHED:

C 1 C 2

* WARNING IN PHYSICAL PROPERTY SYSTEM

FUNCTIONAL GROUP GENERATION FOR THE UNIF-DMD METHOD CANNOT BE COMPLETED

FOR COMPONENT ETHYL-01. THE FOLLOWING ATOMS WERE NOT MATCHED:

C 1 C 2

* WARNING IN PHYSICAL PROPERTY SYSTEM

FUNCTIONAL GROUP GENERATION FOR THE UNIF-R4 METHOD CANNOT BE COMPLETED

FOR COMPONENT ETHYL-01. THE FOLLOWING ATOMS WERE NOT MATCHED:

C 1 C 2

* WARNING IN PHYSICAL PROPERTY SYSTEM

NOATOM ENTRY OF "4" FOR ATOM "H" (ATOMNO 1) OF COMPONENT "ETHYL-02"

DOES NOT MATCH THE VALUE IN ITS STRUCTURE DEFINITION (6).

MW AVAILABLE FOR COMPONENT HIGH-SOL IS DIFFERENT FROM MW CALCULATED

FROM FORMULA (ATOMNO/NOATOM). CALCULATED VALUE IS USED.

AVAILABLE MW = 28.05376 CALCULATED MW = 1402.688

Both ENTHYL-01 and ETHYL-02 are standard components from the database.

Could you please point me where I shall be looking?

Best regards,

Oleksii