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Properties Estimation

Polymer

Molecular Orbital

Material Design

Chemical Engineering

ChemNeuro
(Japanese only)

Trouble Shooting

Draw molecule at cyan panel. How to use animation1, animation2
Change atom type or delete atom, mouse down and up at the same atom.

Then push Calc. button.

You can calculate hydrocarbon, Alcohol, Ester, Carboxylic Acid , Keton only.

Wilson Equation

D G_m^E/RT=-x₁ln(x₁+Large Rammda₁₂x₂)-x₂ln(Large Rammda₂₁x₁+x₂)

Large Rammda ₁₂=V₂/V₁exp(-(rammda₁₂-rammda₁₁)/RT)
Large Rammda ₂₁=V₁/V₂exp(-(rammda₁₂-rammda₂₂)/RT)

(rammda₁₂-rammda₁₁), (rammda₁₂-rammda₂₂) Wilson Parameter