### Chemical Engineering:

# Analytical Solution of Groups

1999.2

#
Vapor Liquid Equilibrium Calculation by ASOG

Lecture note of Dr. Hiroshi Yamamoto

Draw molecule at cyan panel. (Please refer to how to
use Java Applet animation1, animation2)

Change atom type or delete atom, mouse down and up at the same atom.

To calculate Vapor Liquid Equilibrium, it need activity coefficients and vapor pressure scheme like Antoine equation. ASOG calculate activity coefficients. And this Program estimate vapor pressure from Pirika Neural Network method and do not use Antoine Parameters.

If you are lucky enough your browser support old JAVA and proper setting of JAVA option, you will see the window like below. Draw 2 molecles and push Calc. mol. Info. button, then program analyze molecular structure and estimate properties that need to calculate vapor pressure. Then Calc. ASOG button will appear. This button will calculate activity coefficients from Group Pair. After all the calculation is finished, the figure will appear.

You can choose several figure with radio button.

Liquid Composition-Boiling point Graph

X(liquid)-Y(Gas)composition Graph

Liquid Composition-Activity Coefficient Graph

If one of Solvent equal to water then check x Mol
= H2O

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

If you can not see this window, please give up this old JAVA verson. (This Applet is still running with Mac with FireFox browser. 2011.11.15)

2011.4.11

If you are using adequate browser, you can calculate Vapor Liquid Equilibrium with HTML5 version of program. Please refer to how to use HTML5 version of ASOG calculation.

2011.11.15

The fundamental theory of ASOG method.