ChemNeuro
|
Draw molecule at cyan panel. How to
use animation1, animation2
Cis-, Trans- compounds return average
of both. The most general surface tension estimation method is that of MacLeod and Sugden. MacLeod suggested an empirical relationship between surface tension and liquid density. Sugden later showed that the empirical constant appearing in MacLeod's formulation was identical to a constitutive constant called the parachor. The equation introduced by Sugden is: s1/4 = P (rL - r v) / M where s =
surface tension (dynes/cm) The parachor can be visualized as a comparative volume between two liquids and is reasonably independent of temperature. Quayle presented a comprehensive review of methods for estimating the parachor and devised one that is suitable for a wide variety of organic compounds. For most purposes r v is so much smaller than rL that it can be ignored. s = (P*rL / M )4 This equation is the basic equation for
surface tension estimation. This JAVA applet predict liquid density
with using neural network method. Experimental value of surface tension is 23.97 dyne/cm at 20'C This method is very sensitive to Liquid
Density.
Van Krevelen method is developed for polymer surface. This method is also sensitive for density. Neural Networks method |