渐进非对称陀螺分子^(16)O_3及同位素^(16)O^(18)O^(16)O的配分函数研究  

Study on partition functions for the asymptotic asymmetric-top molecule ^(16)O_3 and ^(16)O^(18)O^(16)O

作　　者：宋晓书[1] 刘万松[1] 吉世印[2] 

机构地区：[1]贵州师范大学物理与电子科学学院,贵阳550001 [2]黔南民族师范学院物理系,都匀558000

出　　处：《原子与分子物理学报》2010年第2期340-344,共5页Journal of Atomic and Molecular Physics

基　　金：贵州省科学技术基金(黔科合J字[2008]2232号);贵州省优秀科技教育人才省长基金(黔省专合字(2008)27号);贵州省教育厅自然科学基金重点项目(2006204)

摘　　要：采用乘积近似法计算了臭氧分子^(16)O_3及其同位素^(16)O^(18)O^(16)O在20～6000 K温度范围内的总配分函数.其中转动配分函数用Watson的刚性转子模型,振动配分函数用谐振子模型.总的温度范围被划分为五个温度段.计算的配分函数在这五个温度段分别被拟合到一个温度T的五阶多项式,从而在每个温度段均得到六个拟合系数.由这些拟合系数就可以快速、准确的获得分子在所研究温度范围内任意温度的总配分函数.研究结果为目标特性识别、气动物理的高超声速技术等领域的研究提供了重要的参考信息.The total internal partition functions are calculated for temperatures from 20-6000 K for 16 O3 and it ＇s isotopomer 16O18 O16O with product approximation. For rotational partition sums Qrot, the WATSON ＇ rigid model are used. The calculation method for the vibrational partition sums Qvib used is the harmonic oscillator approximation. The temperature range is divided into five regions and the calculated TIPS are fit to a five-order polynomial expression in T, and the coefficients are evaluated in five temperature regions. This allows a rapid and accurate calculation of the total internal partition functions at the temperature from 20-6000 K. The results provided the important data for the study of the identification of objective characteristics and Hypersonics.

关 键 词：配分函数 臭氧分子 渐进非对称陀螺 高温 

分 类 号：O474[理学—半导体物理]