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Chapter XIII: Surface Properties of Organic Liquids and Polymers

By Andrey Aleksandrovich Askadskii
From Computational Materials Science of Polymers

Overview

It is important to know the surface tension value and be able to predict it on the basis of the chemical structure of the substance is important, because many individual properties of liquids and solids, as well as miscibility and solubility of them in each other, depend on the surface tension of liquids and surface energy of solids. Among existing methods of calculation of surface tension, the most wide-spread is the additive scheme based on summing up of parachors which characterize the contribution of separate atoms to surface tension. The calculation is performed by the formula

(XIII.1)

where P is the total parachor of the molecule (or the repeat unit of the polymer); P i are parachors typical of every atom.

Values of atomic parachors P i, as well as constants which characterize contribution of various types of bonds (double, triple) and cycles (three-component, four-component, etc.) to the general parachor of the substance, are indicated in Table 45.

Table 45: Values of atomic parachors P i and parachors for a series of constants P j

Atom

P i

Constants

P j

C

4.8

Double bond

23.2

H

17.1

O

20.0

Triple bond

46.4

O 2 [*]

60.0

N

12.5

Three-component cycle

16.7

S

48.2

Four-component cycle

11.6

F

27.5

Cl

54.3

Five-component cycle

8.5

Br

68.0

I

91.0

Six-component cycle

6.1

[*]For two oxygen atoms participating in the ester group.

Formula (XIII.1) enables the value

Copyright Cambridge International Science Publishing 2003 under license agreement with Books24x7
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