Accuracy improvement of boron by molecular emission with a genetic algorithm and partial least squares regression model in laser-induced breakdown spectroscopy,Journal of Analytical Atomic Spectrometry

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Accuracy improvement of boron by molecular emission with a genetic algorithm and partial least squares regression model in laser-induced breakdown spectroscopy
Journal of Analytical Atomic Spectrometry ( IF 3.1 ) Pub Date : 2017-12-13 00:00:00 , DOI: 10.1039/c7ja00356k
Zhihao Zhu _{1,

2,

3,

4} , Jiaming Li _{1,

2,

3,

4} , Yangmin Guo _{1,

2,

3,

4} , Xiao Cheng _{1,

2,

3,

4} , Yun Tang _{1,

2,

3,

4} , Lianbo Guo _{1,

2,

3,

4} , Xiangyou Li _{1,

2,

3,

4} , Yongfeng Lu _{1,

2,

3,

4} , Xiaoyan Zeng _{1,

2,

3,

4}

Affiliation

Laser-induced breakdown spectroscopy (LIBS) is an atomic emission spectrometry technique for material component analysis. However, the spectral signal distortion and the low analytical accuracy remain as challenges due to the self-absorption effect of atomic lines in LIBS. Here, to overcome this flaw, we demonstrated a method to build calibration with molecular emission, which was measured from a mixture of H₃BO₃ and C₆H₁₂O₆·H₂O in powder form. We compared the calibration established by typical atomic emission and molecular emission of boron monoxide. The results showed that the self-absorption effect and R² values were improved by using molecular spectra. Furthermore, to improve the accuracy of molecular emission content determination, a genetic algorithm and partial least squares regression (GA-PLSR) combination model was adopted. The achieved root mean square error of prediction (RMSEP) and the mean prediction error (MPE) for the GA-PLSR model were 0.8667 wt% and 10.9685%, respectively. The results demonstrated that it is a potential method to overcome the self-absorption effect with molecular emission and the accuracy of boron content determination of molecular emission can be improved with the GA-PLSR model.

中文翻译：

遗传算法和偏最小二乘回归模型在分子激光诱导击穿光谱中通过分子发射提高硼的准确度

激光诱导击穿光谱法（LIBS）是一种用于材料成分分析的原子发射光谱技术。然而，由于LIBS中原子线的自吸收效应，光谱信号失真和低分析精度仍然是挑战。在此，为克服此缺陷，我们展示了一种利用分子发射建立校正的方法，该方法是从粉末形式的H ₃ BO ₃和C ₆ H ₁₂ O ₆ ·H ₂ O的混合物中测得的。我们比较了由一氧化硼的典型原子发射和分子发射建立的校准。结果表明，自吸收效应和R ²通过使用分子光谱提高了值。此外，为提高分子排放物含量测定的准确性，采用了遗传算法和偏最小二乘回归（GA-PLSR）组合模型。GA-PLSR模型的预测均方根误差（RMSEP）和平均预测误差（MPE）分别为0.8667 wt％和10.9685％。结果表明，它是克服分子发射自吸收效应的一种潜在方法，利用GA-PLSR模型可以提高测定分子发射中硼含量的准确性。

更新日期：2017-12-13

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