摘要
用Fortran90自编程序计算了甲醛(H_2CO)分子的总的配分函数,同时也计算了H_2CO分子000010-000000和100000-000000跃迁带在296～3000 K下的线强度。将计算结果与HITRAN数据库提供的结果进行了比较,得出:在296～3000 K两者数据符合很好,这表明高温下分子配分函数和线强度的计算是可靠的。由于3000 K以上H_2CO分子的相关光谱数据不容易从实验获得,在理论上模拟了H_2CO在高温条件(4000 K)下的线强度和模拟光谱。
The total internal partition sums of formaldehyde were calculated by Fortran90 program. At the same time the line intensities of 000010-000000 and 100000-000000 transition bands of formaldehyde at several temperatures ranging from 296 to 3000 K were computed. Results showed that at this temperature range the agreement between the calculated line intensities and those extrapolated from HITRAN database is fairly good, which provides a strong support for the calculations of partition function and line intensity at high temperature. Then, the line intensities and spectral simulations at the higher temperature 4000 K are presented.
出处
《大气与环境光学学报》
CAS
2008年第4期276-281,共6页
Journal of Atmospheric and Environmental Optics
基金
国家自然科学基金(10574096)
关键词
H2CO
配分函数
线强度
高温
formaldehyde
partition sums
line intensities
high temperature
