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Properties Estimation

Polymer

Molecular Orbital

Material Design

Chemical Engineering

 

Trouble Shooting

 

 

 

 

Pressure Volume Temperature

Draw molecular at both cyan panel then push Calc. Mol Inf. button. Program calculate Boiling point and other properties. Then push Calc. PVT button. Program draw PVT chart. Every one line mean one same temperature ( top right one show 800K, next 750K). Red line means Gas phase, Black line means Gas&Liquid co-exist, Yellow line means Liquid phase.
How to use draw panel
animation1, animation2
Change atom type or delete atom, mouse down and up at the same atom.

 

Cis-, Trans- compounds return average of both.
Hydrogen will be added automatically by program.

Related Properties Vapor Pressure , Boiling Point and Critical properties.