Advances in Data Processing for Open-Path Fourier Transform Infrared Spectrometry of Greenhouse Gases

作者：Shao Limin; Griffiths Peter R^*; Leytem April B

来源：Analytical Chemistry, 2010, 82(19): 8027-8033.

DOI：10.1021/ac101711r

The automated quantification of three greenhouse gases, ammonia, methane, and nitrous oxide, in the vicinity of a large dairy farm by open-path Fourier transform infrared (OP/FT-IR) spectrometry at intervals of 5 min is demonstrated. Spectral pretreatment, including the automated detection and correction of the effect of interrupting the infrared beam, is by a moving object, and the automated correction for the nonlinear detector response is applied to the measured interferograms. Two ways of obtaining quantitative data from OP/FT-IR data are described. The first, which is installed in a recently acquired commercial OP/FT-IR spectrometer, is based on classical least. squares (CLS) regression, and the second is based on partial least-squares (PLS) regression. It is shown that CLS regression only gives accurate results if the absorption features of the analytes are located in very short spectral intervals where lines due to atmospheric water vapor are absent or very weak; of the three analytes examined, only ammonia fell into this category. On the other hand, PIS regression works allowed what appeared to be accurate results to be obtained for all three analytes.

• 出版日期2010-10-1
• 单位中国科学技术大学