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| 二氧化碳同位素高温转动配分函数研究 | |
| 引用本文： | 王君,齐建起,方敏,宋晓书.二氧化碳同位素高温转动配分函数研究[J].四川理工学院学报(自然科学版),2008,21(5). |
| 作者姓名： | 王君 齐建起 方敏 宋晓书 |
| 作者单位： | 1. 四川理工学院物理系,四川,自贡,643000 2. 四川大学物理系,成都,610064 3. 四川大学原子分子物理研究所,成都,610065;贵州师范大学物理化学学院,贵阳,550001 |
| 基金项目： | 四川理工学院人才引进科研项目 |
| 摘 要： | 在5K～6000K温度范围内,分别采用了直和法和McDowell的解析式法计算了12C16O2,16O13C17O,17O13C17O,17O13C18O四种二氧化碳的同位素的转动配分函数,通过对两种方法所得的数据结果进行分析,在5K～3000K温度范围,两者结果符合得很好,而在3000K～6000K温度范围内,对我们讨论的分子来说,对转动配分函数的计算采用解析式法更为适用。 |
| 关 键 词： | 二氧化碳同位素 总内配分函数 转动配分函数 直和法 解析式法 |
Study on Rotational Partition Functions for the Isotopmers of Carbon Dioxide at High Temperature |
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| WANG Jun,QI Jian-qi,FANG Min,SONG Xiao-shu.Study on Rotational Partition Functions for the Isotopmers of Carbon Dioxide at High Temperature[J].Journal of Sichuan University of Science & Engineering:Natural Science Editton,2008,21(5). | |
| Authors: | WANG Jun QI Jian-qi FANG Min SONG Xiao-shu |
| Abstract: | The rotational partition functions were calculated at the temperature region from 5K to 6000K for four CO2 isotopomers,12C16O2, 16O13C17O, 17O13C17O and 17O13C18O by direct summation method and the analytical expression method of McDowell, respectively. The results showed that at the temperature region of 5K～3000K, the rotational partition functions sums calculated by two methods are compared well. And at the temperature region of 3000K～6000K, the result obtained by the model of McDowell can give a reliable result for discussed CO2 isotopomers. |
| Keywords: | carbon dioxide isotopmers total internal partition sums rotational partition functions direct summation method the analytical expression method |
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