Synthetic calibration and quantitative analysis of gas-phase FT-IR spectra
Synthetic calibration and quantitative analysis of gas-phase FT-IR spectra
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DOI：
10.1366/0003702963906627
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发表时间：
1996-01-01
影响因子：
3.5
通讯作者：
Griffith, DWT
中科院分区：
文献类型：
--
作者：
Griffith, DWT
描述了一种气相红外光谱的定量分析方法，其中校准光谱是根据吸收线参数数据库计算的，而不是在真实光谱仪中测量的。合成校准光谱使用MALT（多层大气传输）程序进行计算，计算中考虑了环境（压力、温度、光程等）和仪器（分辨率、线形、波数偏移）的影响，使得计算的光谱非常接近真实测量的光谱。然后将合成的校准光谱用于定量分析，就像它们是真实光谱一样。在传统的实验室研究中，该方法避免了在必须分析许多吸收气体时通常需要耗时地收集大量实验室校准光谱的需要。当没有样品池可用于记录校准光谱时，它在长开路光谱和太阳 FT-IR 光谱中特别有用。示例包括闭孔中的传统实验室光谱、用于确定开放区域中痕量气体通量的开路 FT-IR 光谱以及使用地面 FT-IR 光谱仪的太阳吸收光谱。
A method for the quantitative analysis of gas-phase infrared spectra is described in which calibration spectra are calculated from a database of absorption line parameters rather than measured in a real spectrometer. The synthetic calibration spectra are computed with the use of the program MALT (Multiple Atmospheric Layer Transmission), including environmental (pressure, temperature, pathlength, etc.) and instrumental (resolution, line shape, wavenumber shift) effects in the calculation, so that the calculated spectra closely approximate real measured spectra. The synthetic calibration spectra are then used in quantitative analysis as if they were real spectra. In conventional laboratory studies, the method circumvents the need for time-consuming collection of large sets of laboratory calibration spectra often required when many absorbing gases must be analyzed. It is particularly useful in long open-path and solar FT-IR spectroscopy when no sample cell is available for recording calibration spectra. Examples are presented from conventional laboratory spectra in a closed-cell, open-path FT-IR spectra used to determine trace gas fluxes in an open field, and solar absorption spectroscopy using ground-based FT-IR spectrometers.