A Local Model and Calibration Set Ensemble Strategy for Open-Path FTIR Gas Measurement with Varying Temperature

摘要

Open-Path Fourier Transform Infrared OP-FTIR spectrometers are commonly used for the measurement of atmospheric pollutants and of gases in industrial processes. Spectral interpretation for the determination of gas concentrations is based on the HITRAN database line-by-line modeling method. This article describes algorithms used to model gas spectra and to determine gas concentration under variable temperatures. Integration of individual rotational lines has been used to reduce the impact of spectrometer functions on the comparison of both measured and synthetic modeled spectra. Carbon monoxide was used as an example. A new algorithm for gas concentration retrieval consisting of two ensemble methods is proposed. The first method uses an ensemble of local models based on linear and non-linear PLS (partial least square) regression algorithms, while the second is an ensemble of a calibration set built for different temperatures. It is possible to combine these methods to decrease the number of regression models in the first ensemble. These individual models are appropriate for specific measurement conditions specified by the ensemble of the calibration set. Model selection is based on comparison of gas spectra with values determined from each local model