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采用激光诱导击穿光谱结合偏最小二乘回归法测定氯。

Determination of chlorine with radical emission using laser-induced breakdown spectroscopy coupled with partial least square regression.

机构信息

Wuhan National Laboratory for Optoelectronics (WNLO), Huazhong University of Science and Technology (HUST), Wuhan, Hubei 430074, PR China.

Wuhan National Laboratory for Optoelectronics (WNLO), Huazhong University of Science and Technology (HUST), Wuhan, Hubei 430074, PR China.

出版信息

Talanta. 2019 Jun 1;198:93-96. doi: 10.1016/j.talanta.2019.01.102. Epub 2019 Jan 30.

DOI:10.1016/j.talanta.2019.01.102
PMID:30876608
Abstract

Chlorine is a crucial element which may cause the corrosion of reinforced concrete. However, the strongest chlorine atom/ion emission lines are in the UV region and the ground state atom is hard to excite by conventional single-pulsed laser-induced breakdown spectroscopy (SP-LIBS). Radical emission is a feasible alternative to atom/ion emission when detecting chlorine concentration. Here, Cl atomic emission and calcium chloride (CaCl) radicals were detected in SP-LIBS, the calibrations of both emissions were compared. To further improve the accuracy, partial least square regression (PLSR) was adopted to establish the calibrations. The results showed that CaCl radical signal is stronger than Cl atomic signal with low energy SP-LIBS in open air, achieving a LoD (limit of detection) of 0.0404 wt%. Meanwhile, CaCl calibration had a better accuracy with coefficient of determination (R) and root mean square error of cross validation (RMSECV) of 0.9930 and 0.2016 wt% with the help of PLSR. In conclusion, this work provided a potential approach for Chlorine determination in industry.

摘要

氯是一种重要的元素,可能会引起钢筋混凝土的腐蚀。然而,最强的氯原子/离子发射线处于紫外区,而基态原子很难被常规的单次脉冲激光诱导击穿光谱(SP-LIBS)激发。在检测氯浓度时,自由基发射是原子/离子发射的可行替代方法。在这里,我们在 SP-LIBS 中检测到了氯原子发射和氯化钙(CaCl)自由基,比较了这两种发射的校准。为了进一步提高准确性,采用偏最小二乘回归(PLSR)建立了校准。结果表明,在开放空气中进行低能量 SP-LIBS 时,CaCl 自由基信号比氯原子信号强,检出限(LOD)为 0.0404wt%。同时,借助 PLSR,CaCl 校准的准确性更好,决定系数(R)和交叉验证均方根误差(RMSECV)分别为 0.9930 和 0.2016wt%。总之,这项工作为工业中氯的测定提供了一种潜在的方法。

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