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An approach to detecting diphenylamine content and assessing chemical stability of single-base propellants by near-infrared reflectance spectroscopy

校准 二苯胺 偏最小二乘回归 内容(测量理论) 近红外光谱 材料科学 理论(学习稳定性) 光谱学 分析化学(期刊) 平滑的 化学计量学 生物系统 数学 化学 计算机科学 光学 色谱法 统计 物理 生物 机器学习 数学分析 冶金 量子力学
作者
Liang Xie,Heying Deng,Zhaoxuan Wang,Weibin Wang,Jinhua Liang,Guodong Deng
出处
期刊:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [Elsevier]
卷期号:285: 121906-121906 被引量:11
标识
DOI:10.1016/j.saa.2022.121906
摘要

Diphenylamine (DPA) as a stabilizer component plays an important role in maintaining the chemical stability of single-base propellants (SBPs). This work investigated the feasibility of rapidly detecting the content of DPA in SBP by near-infrared reflectance spectroscopy (NIRS). The quantitative NIR model was developed by intervals selection, spectral pretreatment and factor number optimization. The optimal spectral intervals were determined to be 1081 nm ∼ 1280 nm and 1378 nm ∼ 1602 nm based on the characteristic spectral peaks of DPA. By comparing the performance of the developed models with different preprocessing methods, the best preprocessing method was standard normal variate transformation (SNV) + de-trending (Dr) + Smoothing. The optimal number of factors was 6 for DPA model. Partial least squares (PLS) regression was used to establish the calibration models of DPA. For the developed model, the determination coefficients of calibration and prediction (Rc2, Rp2) were 0.9907 and 0.9884, respectively. The root mean square errors of calibration and prediction (RMSEC, RMSEP) were 0.0310 and 0.0342, respectively. The samples in the prediction set were predicted by the developed model, and the average absolute error of the proposed and reference method was only 0.0265. The developed model can be applied in rapid monitor the content of DPA in SBP. In addition, vieille test have demonstrated that the chemical stability of SBP became worse with the decrease of DPA content. The content of DPA contained in the SBP with qualified chemical stability is not less than 0.8753%. Thus, the developed model can be used to judge whether the chemical stability of SBP is qualified or unqualified.
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