THERMODYNAMIC PROPERTIES OF TRIETHYLALUMINUM ISOMERS

Abstract

A quantum-mechanical calculation of the structure and energy characteristics of triethylaluminum Al(C2H5)3 (TEA) was carried out during which three of its isomers were found. The processes of isomerization of TEA are considered and the corresponding equilibrium constants and the equilibrium isomeric composition of TEA are obtained. The main thermodynamic properties (heat capacity, enthalpy of formation, entropy, and reduced Gibbs energy) of the found isomers and the equilibrium composition are calculated over a wide temperature range. An approximation of the reduced Gibbs energy was carried out in accordance with the analytical representation adopted in the reference book “Thermodynamic properties of individual substances” edited by L. V. Gurvich.