Open AccessStudy of the partition functions of SiO2 molecules
Author(s) -
Dingming Wu,
Huijun Wan,
Andy Xie,
Xinlu Cheng,
Xinling Yang
Publication year - 2009
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.58.7410
Subject(s) - partition (number theory) , partition function (quantum field theory) , vibrational partition function , physics , range (aeronautics) , internal energy , harmonic oscillator , partition coefficient , mathematical analysis , mathematics , thermodynamics , materials science , quantum mechanics , molecule , combinatorics , molecular vibration , chemistry , hot band , chromatography , composite material
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.