| 氧化亚氮分子配分函数的高温计算 |
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| 引用本文： | 宋晓书,杨向东,程新路. 氧化亚氮分子配分函数的高温计算[J]. 贵州教育学院学报, 2007, 18(4): 6-8,12 |
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| 作者姓名： | 宋晓书 杨向东 程新路 |
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| 作者单位： | [1]贵州师范大学理学院,贵州贵阳550001 [2]四川大学原子与分子物理研究所,四川成都610065 |
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| 基金项目： | 国家自然科学基金 , 高等学校博士学科点专项科研项目 , 贵州省教育厅自然科学基金 |
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| 摘 要： | 在20-6000 K温度范围内,计算了N142O16的总配分函数.其中,转动配分函数考虑了离心扭曲修正,振动配分函数采用谐振子近似.20-6000 K的温度范围被划分为五区间段,计算的配分函数在这五个温度区间分别被拟合到一个温度T的四阶多项式,从而在每个区间均得到五个拟合系数.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的配分函数.
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| 关 键 词： | 总配分函数 氧化亚氮 转动配分函数 振动配分函数 |
| 文章编号： | 1002-6983（2007）04-0006-04 |
| 收稿时间： | 2007-06-20 |
| 修稿时间： | 2007-06-20 |
Calculation of the partition functions of N2O molecule at high temperature |
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| SONG Xiao-shu,YANG Xiang-dong,CHENG Xin-lu. Calculation of the partition functions of N2O molecule at high temperature[J]. Journal of Guizhou Educational College(Social Science Edition), 2007, 18(4): 6-8,12 |
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| Authors: | SONG Xiao-shu YANG Xiang-dong CHENG Xin-lu |
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| Affiliation: | 1.School of Physics and Chemistry,Guizhou Normal University,Guiyang,Guizhou 550001,China;2.Institute of Atomic and Molecular Physics,Sichuan University,Chengdu,Sichuan 610065,China |
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| Abstract: | The total internal partition functions are calculated for temperatures from 20-6000 K for N2^14O^16.For rotational partition sums Qrot,the centrifugal distortion corrections are taken into account.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 total internal partition functions are fit to a four-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. |
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| Keywords: | total internal partition functions nitrous oxide rotational partition sums vibrational partition sums |
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