{"title":"Rapid Detection of Stabilizer Content in Double-Base Propellant Based on Artificial Neural Network Combined With Near-Infrared Spectroscopy","authors":"Dihua Ouyang, Tianyu Cui, Qiantao Zhang, Haoxiang Dai, Xiaowen Qin, Yaoli Hu","doi":"10.1002/cem.3632","DOIUrl":null,"url":null,"abstract":"<div>\n \n <p>During long-term storage, double-base propellants are prone to chemical decomposition of internal nitrate esters, leading to decreased burn rate, reduced strength, and degraded ballistic performance. Adding an appropriate amount of Centralite-II is crucial for ensuring storage safety. This study proposes a novel method combining near-infrared spectroscopy (NIRS) with artificial intelligence to rapidly and non-destructively detect the content of Centralite-II in double-base propellants. The optimal modeling wavelength ranges of 4000–4600 cm<sup>−1</sup> and 5700–6100 cm<sup>−1</sup> were identified, and the raw spectral data were preprocessed using standard normal variate (SNV) transformation to improve the signal-to-noise ratio. Principal component analysis (PCA) was then applied to reduce data dimensionality, and the first three principal components were used as inputs for a backpropagation (BP-ANN) neural network. The resulting PCA-BP-ANN model showed excellent performance on the training set, with an \n<span></span><math>\n <semantics>\n <mrow>\n <msubsup>\n <mi>R</mi>\n <mi>c</mi>\n <mn>2</mn>\n </msubsup>\n </mrow>\n <annotation>$$ {R}_c&#x0005E;2 $$</annotation>\n </semantics></math> of 0.9830 and an \n<span></span><math>\n <semantics>\n <mrow>\n <mtext>RMSEC</mtext>\n </mrow>\n <annotation>$$ RMSEC $$</annotation>\n </semantics></math> of 0.0376%. During independent validation, the model demonstrated strong generalization ability, achieving an \n<span></span><math>\n <semantics>\n <mrow>\n <msubsup>\n <mi>R</mi>\n <mi>p</mi>\n <mn>2</mn>\n </msubsup>\n </mrow>\n <annotation>$$ {R}_p&#x0005E;2 $$</annotation>\n </semantics></math> of 0.9824 and an \n<span></span><math>\n <semantics>\n <mrow>\n <mtext>RMSEP</mtext>\n </mrow>\n <annotation>$$ RMSEP $$</annotation>\n </semantics></math> of 0.3179%, comparative analysis with other models, including BP, PLS, ELM, SVR, and LSTM, indicated that the PCA-BP-ANN model exhibited superior prediction accuracy and generalization capability. This method provides a rapid and non-destructive approach for assessing the stabilizer content in double-base propellants and expands the application of NIRS and AI techniques in the field of energetic materials.</p>\n </div>","PeriodicalId":15274,"journal":{"name":"Journal of Chemometrics","volume":"38 12","pages":""},"PeriodicalIF":2.3000,"publicationDate":"2024-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemometrics","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/cem.3632","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"SOCIAL WORK","Score":null,"Total":0}
引用次数: 0
Abstract
During long-term storage, double-base propellants are prone to chemical decomposition of internal nitrate esters, leading to decreased burn rate, reduced strength, and degraded ballistic performance. Adding an appropriate amount of Centralite-II is crucial for ensuring storage safety. This study proposes a novel method combining near-infrared spectroscopy (NIRS) with artificial intelligence to rapidly and non-destructively detect the content of Centralite-II in double-base propellants. The optimal modeling wavelength ranges of 4000–4600 cm−1 and 5700–6100 cm−1 were identified, and the raw spectral data were preprocessed using standard normal variate (SNV) transformation to improve the signal-to-noise ratio. Principal component analysis (PCA) was then applied to reduce data dimensionality, and the first three principal components were used as inputs for a backpropagation (BP-ANN) neural network. The resulting PCA-BP-ANN model showed excellent performance on the training set, with an
of 0.9830 and an
of 0.0376%. During independent validation, the model demonstrated strong generalization ability, achieving an
of 0.9824 and an
of 0.3179%, comparative analysis with other models, including BP, PLS, ELM, SVR, and LSTM, indicated that the PCA-BP-ANN model exhibited superior prediction accuracy and generalization capability. This method provides a rapid and non-destructive approach for assessing the stabilizer content in double-base propellants and expands the application of NIRS and AI techniques in the field of energetic materials.
在长期储存期间,双基推进剂容易发生内部硝酸盐酯的化学分解,导致燃烧速率降低,强度降低,弹道性能下降。添加适量的Centralite-II对于确保储存安全至关重要。本研究提出了一种结合近红外光谱(NIRS)和人工智能的新方法,用于快速、无损地检测双基推进剂中Centralite-II的含量。确定了4000 ~ 4600 cm−1和5700 ~ 6100 cm−1的最佳建模波长范围,并利用标准正态变量(SNV)变换对原始光谱数据进行预处理,以提高信噪比。然后应用主成分分析(PCA)降低数据维数,并将前三个主成分用作反向传播(BP-ANN)神经网络的输入。所得PCA-BP-ANN模型在训练集上表现优异,r2 $$ {R}_c^2 $$为0.9830,RMSEC $$ RMSEC $$为0.0376%. During independent validation, the model demonstrated strong generalization ability, achieving an R p 2 $$ {R}_p^2 $$ of 0.9824 and an RMSEP $$ RMSEP $$ of 0.3179%, comparative analysis with other models, including BP, PLS, ELM, SVR, and LSTM, indicated that the PCA-BP-ANN model exhibited superior prediction accuracy and generalization capability. This method provides a rapid and non-destructive approach for assessing the stabilizer content in double-base propellants and expands the application of NIRS and AI techniques in the field of energetic materials.
期刊介绍:
The Journal of Chemometrics is devoted to the rapid publication of original scientific papers, reviews and short communications on fundamental and applied aspects of chemometrics. It also provides a forum for the exchange of information on meetings and other news relevant to the growing community of scientists who are interested in chemometrics and its applications. Short, critical review papers are a particularly important feature of the journal, in view of the multidisciplinary readership at which it is aimed.