Quantitative Detection of Components in Polymer-Bonded Explosives through Near-Infrared Spectroscopy with Partial Least Square Regression

[Image: see text] The components in polymer-bonded explosive X, including cyclotetramethylene-tetranitramine, paraffin, and polytetrafluoroethylene, were determined using near-infrared (NIR) spectroscopy. Using partial least squares as the multivariate calibration method, quantitative calibration models for components in X were verified internally and externally. The possible combinations of eight general spectral pretreatment methods and different bands of the scanning spectral region (12,500–4000 cm(–1)) were established. The models were analyzed, evaluated, and optimized via the fitting effect. The data were combined with the mathematical meaning of the model spectral pretreatment methods and the chemical significance of the modeling spectral bands. Prediction performance offered optimal quantitative calibration models. Paired bilateral Student’s t tests show that there is no significant difference between the values obtained by NIR and chemical analysis methods, and the NIR method has good accuracy. Moreover, the precision of the NIR method is better than that of the chemical method, and the analysis time is reduced from 2 days to a few minutes.