Quantitative determination on binary-component polymer bonded explosives: A joint study of ultraviolet spectrophotometry and multivariate calibration methods

Abstract

Explosive determination is of great importance in national defense and security fields. Simple, quick and reliable analytical techniques have been highly demanded in the field. In this work, we proposed a novel method for simultaneous determination of pentaerythritol tetranitrate (PETN), 1,3,5-trinitroperhydro-1,3,5-triazine (RDX), and 2,4,6-trinaitrotolunene (TNT) in binary-component polymer bonded explosive (PBX) samples by means of a combination of ultraviolet (UV) spectrophotometry with multivariable calibration methods. An orthogonal array design (DAD) was employed to construct the calibration set, which contains 27 reference samples. The calibration models were constructed using Partial Least Square regression (PLS-1) and Multiple Linear Regression (MLR). The variables were selected by the Successive Projection Algorithm (SPA) in MLR model. The predictive ability of the optimized models was validated by a test set including 18 samples. Finally, the two optimized models were successfully applied to simultaneously determine the content of PETN, RDX and TNT in five real binary-component PBX samples. Satisfactory results were obtained for the two models, in which the recovery yields were close to 100% for all the analytes. The computed elliptical joint confidence region (EJCR) further shows that the two models have no proportional and constant errors in the predicted concentrations. In addition, the statistical analysis indicates that MLR model with reasonable variable selection (SPA-MLR) could exhibit a slight superiority toward PLS-1 in the system. In a word, UV-spectroscopy in combination with multivariable calibration techniques has high potential to be a simple, quick and accurate analysis method for explosive determination in practice.