The surface tension coefficients and critical temperatures of uniform nonpolar liquids from a priori calculations within the framework of the theory of generalized charges

详细

Expressions for parameters of the Guggenheim—Katayama formula for the surface tension coefficient are derived based on the theory of generalized charges. For linear and branched hydrocarbons, the bond energies are determined and the rules for taking account of the structure in the expressions for the surface tension coefficient and critical temperature are deduced using no empirical data. A comparison of the results of calculations with experimental data revealed a satisfactory accuracy of the theory developed.