关于在20~6000K温度范围内氰化氢配分函数的研究(英文)  

Study of Partition Functions for the Hydrogen Cyanide in the Temperature Range20 ~6000K

作　　者：宋晓书[1,2] 程新路[1] 王君[1] 葛素红[1,3] 吉士印[4] 杨向东[1] 

机构地区：[1]四川大学原子与分子物理研究所,成都610065 [2]贵州师范大学理学院,贵阳550001 [3]甘肃河西学院物理系,甘肃张掖734000 [4]贵州教育学院物理系,贵阳550001

出　　处：《四川大学学报（自然科学版）》2006年第4期847-851,共5页Journal of Sichuan University(Natural Science Edition)

基　　金：TheNationalNaturalScienceFoundationofChina(10574096),TheNationalNaturalScienceFoundationofChinaandCAEP(10376021),TheSpecializedResearchFundfortheDoctoralProgramofHigherEducationofChina(20050610010),TheSpecializedResearchFundfortheDevelopmentProgramofHigherEducationofGuizhouprovince(2005119)

摘　　要：作者在20～6000K温度范围内，将其划分为5个小区间，计算了H^12C^12N及其同位素H^12C^15N和H^13C^14N的总的配分函数．作者将计算的配分函数分别在这5个小区间被拟合到含温度T的四阶多项式内，并在每个区间均得到5个拟合系数．通过这些拟合系数可以快速、准确地获得分子在所研究温度范围内任意温度下的总的配分函数．The total internal partition functions are calculated for temperatures from 20-6000 K for HCN and its isotopomers. The temperature range is divided into five regions and the calculated total intemal partition sum（TIPS） 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 intemal partition functions at the temperature from 20-6000 K.

关 键 词：总配分函数 氰化氢 转动配分函数 振动配分函数 

分 类 号：O561[理学—原子与分子物理]