光谱学与光谱分析, 2013, 33 (2): 300, 网络出版: 2013-03-27
高温下CO分子的振转跃迁光谱
Vibrational and Rotational Spectrum of Carbon Monoxide at High Temperature
光谱 总配分函数 振转跃迁矩元 吸收系数 Spectrum Carbon monoxide CO Total partition function Matrix elements of vibrational-rotational transiti Absorption coefficient
摘要
采用近似方法计算了CO分子的总配分函数; 利用该分子的偶极矩函数和在Morse近似下的波函数, 计算了分子的振转跃迁矩阵元及在常温和高温下的吸收系数。 计算结果表明, 在常温(296 K)和高温下(3 000 K), 计算结果与HITRAN数据库和文献值符合的很好, 表明对分子总配分函数和振转跃迁矩阵元的计算是可靠的。 并首次计算了CO分子在更高温度(4 000和6 000 K)下的吸收系数。
Abstract
The total partition function was calculated for carbon monoxide with approximation. Using the dipole moment function and the wave function with Morse approximation, we computed the matrix elements of vibrational-rotational transition and absorption coefficient at normal and high temperature. The computed results agreed with the HITRAN database and literature, which shows that the calculation of total partition function and matrix elements of vibrational-rotational transition is reliable. Furthermore, the absorption coefficient and radiant spectrum are also presented at higher temperature of 4 000 and 6 000 K.
齐新华, 苏铁, 杨富荣, 鲍伟义, 陈力. 高温下CO分子的振转跃迁光谱[J]. 光谱学与光谱分析, 2013, 33(2): 300. QI Xin-hua, SU Tie, YANG Fu-rong, BAO Wei-yi, CHEN Li. Vibrational and Rotational Spectrum of Carbon Monoxide at High Temperature[J]. Spectroscopy and Spectral Analysis, 2013, 33(2): 300.
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