Elimination of Interferents Influence in Simultaneous Determination of Organic Gases Using PLS with FTIR Spectroscopy∗

Abstract

The most serious problem in multivariate calibration analysis is that the prediction samples may contain the interferents whch are not modeled in the calibration step. Then how to detect the interferents and eliminate their influence is si&icantly important in order to obtain the correct compositional analysis results. The so-called residual spectra library search is supplied and an iterative loop regression algorithm to successfully correct the spectrum containing two interferents is developed in t h s paper. Three groups of whch each sample contains no, one or two interferents are supplied to amplify the above method. The mean relative standard deviation (RSD) for the three groups are 0.163, 0.375, 0.355%, respectively. There are no . 1452 GU ET AL.comparable difference among these RSDs, which proves the validation of the method provided in this paper. The results specify that PLS with FTIR spectroscopy is a powerful tool to resolve both the multicomponent simultaneous determination and the identification of interferents when combined with additional diagnostic and corrected procedure.

Retrieving CO Concentrations from FT-IR Spectra with Nonmodeled Interferences and Fluctuating Baselines Using PCR Model Parameters

“…The resulting pure spectrum can then be used as input to the original chemometric model. 3,4 A so-called generalized H-point standard addition method (GHSAM) has been used to estimate the analytical concentration in a sample in which one or more unknown interferents are present. The method is limited to cases in which the interferents are global and can be described as straight lines.…”

“…These factors reduce the in uence of interfering components at selected data points. 4 Genetic regression (GE) has been demonstrated with synthetic data in order to enable corrections to be applied for complex spectral overlap and uctuating quadratic and cubic baselines. 6 A method that can compensate for parabolic baselines in gaseous spectra has also been demonstrated.…”