Computer Simulation of Partition Functions for NO2 Flue Gas
In order to solve the high energy level is very difficult available,the product approximation model is used in this paper. By the product approximation construction model,the total internal partition functions are calculated at the temperatures from 70 to 6000K for l4N16O2. Thereinto,the rotational partition sums Qrol adopt the WATSON ngid rotator model,which take into account centrifugal distortion corrections. The vibrational partition sums Qvib usethe harmonic oscillator approximation model. The results show that the calculated values of total internal partitionfunctions are consistent with those offered by H1TRAN database from 70K to 3000K,and the errors shows linear correlation approximately. By fitting the errors,the total internal partition functions at high temperature range of 3000K to 6000K were corrected. The corrected total internal partition functions are fitted by a four-order polynomial expression in T,and the coefficients are gained at high temperature. This provides a rapid and accurate calculation of the total internal partition functions at thetemperature from 3000K to 6000K.
flue gas NO2 partition functions
Donglan Wu Andong Xie Huijun Wan
College of Mathematic and Physical,Jinggangshan University,Jian,343009,China
国际会议
西安
英文
447-451
2011-12-23（万方平台首次上网日期，不代表论文的发表时间）