Boyuan Han , Jun Feng , Dongpeng Tian , Ziang Chen , Asiri Iroshan , Yuzhu Liu
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Furthermore, different algorithms including support vector machine (SVM), partial least squares (PLS), random forest (RF), and convolutional neural network (CNN) were applied to establish the multivariate calibration model, and the prediction performance was compared according to the 10-fold cross-validation. Particle swarm optimization (PSO) was used to optimize hyperparameters of the selected SVM-based multivariate calibration model. Principal component analysis (PCA) and linear discriminant analysis (LDA) were employed to extract spectral features and reduce dimensions for the improvement of the model's performance, with the final root mean square error of prediction (RMSEP) and mean relative error (MRE) of the LDA-PSO-SVM calibration model of 0.035 and 3.877%, respectively. Finally, c. 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引用次数: 0
摘要
工业中的燃料燃烧是温室气体的来源之一,对人类健康和自然环境构成严重威胁。因此,对燃烧过程的监控和燃烧度的测量至关重要。在这项工作中,开发了一套基于激光诱导击穿光谱(LIBS)的实验系统。以不同燃烧程度的木炭为样品,在木炭的激光诱导击穿光谱中观察到了 C 的特征线以及 CN 和 CaO 的分子带。此外,根据不同燃烧度下 C I 线强度的变化,构建了基于指数拟合曲线的单变量定标模型来预测燃烧度。此外,还应用支持向量机(SVM)、偏最小二乘法(PLS)、随机森林(RF)和卷积神经网络(CNN)等不同算法建立了多元定标模型,并根据 10 倍交叉验证比较了预测性能。粒子群优化(PSO)用于优化选定的基于 SVM 的多元校准模型的超参数。采用主成分分析(PCA)和线性判别分析(LDA)提取光谱特征并减少维数,以提高模型的性能,最终 LDA-PSO-SVM 校准模型的预测均方根误差(RMSEP)和平均相对误差(MRE)分别为 0.035% 和 3.877%。最后,c. 结果证明通过基于 LIBS 的机器学习方法实现实时测定燃烧程度以控制碳排放和监测碳浓度是可行的,这也为 LIBS 在大气领域的应用提供了新的思路。
Real-time determination of combustion degree by laser-induced breakdown spectroscopy
The combustion of fuels in industries is one of the sources of greenhouse gases, posing a considerable threat to human health and the natural environment. The monitoring of the combustion process and the measurement of combustion degrees, therefore, are crucial and significant. In this work, an experimental system was developed based on Laser-induced breakdown spectroscopy (LIBS). Charcoals with different combustion degrees were taken as samples, and in the LIBS spectra of charcoals, the characteristic line of C and the molecular bands of CN and CaO were observed. Moreover, a univariate calibration model based on the exponential fitting curve was constructed to predict the combustion degree according to the variation of the C I line intensity under different combustion degrees. Furthermore, different algorithms including support vector machine (SVM), partial least squares (PLS), random forest (RF), and convolutional neural network (CNN) were applied to establish the multivariate calibration model, and the prediction performance was compared according to the 10-fold cross-validation. Particle swarm optimization (PSO) was used to optimize hyperparameters of the selected SVM-based multivariate calibration model. Principal component analysis (PCA) and linear discriminant analysis (LDA) were employed to extract spectral features and reduce dimensions for the improvement of the model's performance, with the final root mean square error of prediction (RMSEP) and mean relative error (MRE) of the LDA-PSO-SVM calibration model of 0.035 and 3.877%, respectively. Finally, c. The results prove feasible to realize the real-time determination of combustion degree to control carbon emissions and monitor carbon concentration through the LIBS-based method with machine learning, which also provides new ideas for the application of LIBS in the atmospheric field.
期刊介绍:
Spectrochimica Acta Part B: Atomic Spectroscopy, is intended for the rapid publication of both original work and reviews in the following fields:
Atomic Emission (AES), Atomic Absorption (AAS) and Atomic Fluorescence (AFS) spectroscopy;
Mass Spectrometry (MS) for inorganic analysis covering Spark Source (SS-MS), Inductively Coupled Plasma (ICP-MS), Glow Discharge (GD-MS), and Secondary Ion Mass Spectrometry (SIMS).
Laser induced atomic spectroscopy for inorganic analysis, including non-linear optical laser spectroscopy, covering Laser Enhanced Ionization (LEI), Laser Induced Fluorescence (LIF), Resonance Ionization Spectroscopy (RIS) and Resonance Ionization Mass Spectrometry (RIMS); Laser Induced Breakdown Spectroscopy (LIBS); Cavity Ringdown Spectroscopy (CRDS), Laser Ablation Inductively Coupled Plasma Atomic Emission Spectroscopy (LA-ICP-AES) and Laser Ablation Inductively Coupled Plasma Mass Spectrometry (LA-ICP-MS).
X-ray spectrometry, X-ray Optics and Microanalysis, including X-ray fluorescence spectrometry (XRF) and related techniques, in particular Total-reflection X-ray Fluorescence Spectrometry (TXRF), and Synchrotron Radiation-excited Total reflection XRF (SR-TXRF).
Manuscripts dealing with (i) fundamentals, (ii) methodology development, (iii)instrumentation, and (iv) applications, can be submitted for publication.