一种傅里叶红外光谱校准数据库软件系统研究

傅里叶红外光谱分析方法具有分辨率高、光通量大、频带宽等优点，在痕量成分分析领域应用广泛。在污染大气成分在线监测过程中，准确的标准光谱数据库是进行大气成分探测的首要条件和计算基础。开发了一套可用于红外光谱在线分析的校准光谱数据库平台，研究在使用傅里叶红外光谱仪进行实际测量的过程中，影响表观光谱的仪器因素，具体包括仪器分辨率、切趾函数和入射辐射的立体角等。在此基础上，对傅里叶红外光谱仪仪器线型函数进行建模，实现高分辨率校准光谱的环境参数和仪器线型函数匹配，建立了一套基于HITRAN的红外光谱定量校准数据库，并给出了基于该数据库的仿真校准光谱实例。该数据库可用于大气痕量和微量成分的红外光谱分析研究。

A Calibration Database Software of Fourier Transform Infrared Spectroscopy

Fourier transform infrared spectroscopy has advantages of high resolution, large flux, wide frequency band, and is widely used in the field of trace element analysis. In the online monitoring process of atmospheric pollution composition, accurate standard spectral database is the first condition and calculation basis of atmospheric composition detection. A set of calibration spectra database platform used in the online analysis by infrared spectrum is presented. The factors with affecting spectral instruments, including the instrument resolution, apodization functions and the solid angle of incident radiation, etc, are studied in the use of the Fourier infrared spectrometer by the process of actual measurement. On this basis, the instrument lineshape function of the Fourier transform infrared spectrometer is modeled. Then the true high resolution spectrum was degraded from high resolution to low resolution, which closely modeled the true measured spectra by a real spectrometer. A set of infrared quantitative calibration database based on HITRAN is established. The simulation of calibration spectra based on the database are given. The database can be used in the infrared spectral analysis of trace gas and trace element research.