Study of the partition functions of SiO2 molecules

Abstract

The total internal partition functions are calculated for 16O28Si16O at temperatures from 20—6000 K. In deducing the rotational partition sums Qrot, the centrifugal distortion corrections are taken into account. The method used for calculating the vibrational partition sums Qvib is the harmonic oscillator approximation. The temperature range is divided into five regions and the calculated total internal partition functions are fitted to a fourth-order polynomial in T, and the coefficients are evaluated in the five temperature regions. This permits rapid and accurate calculation of the total internal partition functions in the temperature range from 20—6000 K.