Wilson parameters estimation from molecular structure

JAVA, HTML5 & Chemistry Site

Chemistry@Pirika
Properties Estimation
Polymer Science
Chemical Engineering
Molecular Orbital
Chemo-Informatics
Other Chemistry
Academia
DIY:Do It Yourself
Programing

Hansen Solubility Parameter (HSP)
  Basic HSP
  Applications
  Polymer
  Bio, Medical, Cosmetic
  Environment
  Properties Estimation
  Analytical Chemistry
  Formulating for Cosmetics
  Other
  DIY:Do It Yourself

Other Writing

Ad Space for you

Last Update
19-Oct-2014

1999.11.6

Chemical Engineering: Wilson Large rammda12 rammda21

Wilson Large rammda₁₂rammda₂₁

Lecture note of Dr. Hiroshi Yamamoto

Please draw molecule at cyan panel. Please refer to how to use animation1, animation2.
Change atom type or delete atom, mouse down and up at the same atom.

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

Cis-, Trans- compounds return average of both.
You need not add Hydrogen.

If you are lucky enough your browser support old JAVA and proper setting of JAVA option, you will see the window like below. Draw molecule and click Calc. button, you will get Wilson parameters.

If you can not see this window, please check browser's JAVA option or try other browser. Eventhough you fail. Give up this old IAVA verson. (This Applet is still running with Mac with FireFox browser. 2011.11.15)

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