Research progress in quantitative analysis of laser-induced breakdown spectroscopy combined with chemometrics in metallurgical system
ZHANG Rongling1, SONG Chenjia1, LI Youchao1, ZHANG Tianlong*1, TANG Hongsheng1, LI Hua1,2
1. Key Laboratory of Synthetic and Natural Functional Molecular Chemistry of Ministry of Education,College of Chemistry and Material Science,Northwest University,Xi'an 710127,China; 2. College of Chemistry and Chemical Engineering,Xi'an Shiyou University,Xi'an 710065,China
Abstract：Metallurgical analysis is an indispensable step in metallurgical production process,and it is also an important basis and technical means for the raw material selection,smelting process control and product inspection.In order to meet the objective requirements of process production optimization,the metallurgical process is faced with the practical demands in improvement of accuracy,resolution,rapidity,continuity,online performance and systematicness.Laser-induced breakdown spectroscopy(LIBS) is an innovative atomic emission spectrometry analysis technology based on laser,and it has a wide application prospect and development potential in the metallurgical field because of its unique advantages such as no need for complex sample pretreatment,real-time online analysis,remote detection and non-contact measurement.The traditional quantitative analysis methods,such as standard curve method,internal standard method and free calibration method,are usually affected by the sample uniformity,matrix effect and self-absorption effect in accuracy,which cannot meet the high-precision quantitative analysis of practical complex application scenarios.Chemometrics can extract characteristic information from multi-dimensional spectral signals of complex systems to the greatest extent,and it is used to establish some accurate quantitative analysis methods suitable for complex systems in metallurgical field.Therefore,the research progress of quantitative analysis of ores and alloys by LIBS combined with chemometrics in recent five years were reviewed.Moreover,the key problems and development trends in this field were summarized.
[1] 李华昌,王东杰,冯先进.我国冶金分析定量检测仪器的发展趋势[J].冶金分析,2022,42(8):1-12. LI Huachang,WANG Dongjie,FENG Xianjin.Development trend of quantitative detecting instruments for metallurgical analysis in China[J].Metallurgical Analysis,2022,42(8):1-12. [2] Akyuz B,Mckay D.Quantitative chemical analysis of metals in failure analysis[J].Journal of Failure Analysis and Prevention,2022,22(1):108-112. [3] Bogomolova S A,Muravyeva I V.Application of robust parametric design in the development of a quantitative chemical analysis methodology in metallurgical production[J].Measurement Techniques,2021,64(9):772-777. [4] Wang Z Z,Deguchi Y,Shiou F J,et al.Feasibility investigation for online elemental monitoring of iron and steel manufacturing processes using laser-induced breakdown spectroscopy[J].ISIJ International,2020,60(5):971-978. [5] 杜瑶,李茂刚,王萍,等.激光诱导击穿光谱技术结合自吸收修正和偏最小二乘法的铁矿石酸度分析[J].冶金分析,2020,40(12):105-111. DU Yao,LI Maogang,WANG Ping,et al.Acidity analysis of iron ore based on laser-induced breakdown spectroscopy coupled with self-absorption correction and partial least squares[J].Metallurgical Analysis,2020,40(12):105-111. [6] Liu J,Gao X H,Duan H,et al.Latest development of laser induced breakdown spectroscopy[J].Laser Journal,2012,33(1):7-10. [7] Myakalwar A K,Sandoval C,Velasquez M,et al.LIBS as a spectral sensor for monitoring metallic molten phase in metallurgical applications——a review[J].Minerals,2021,11(10):1073. [8] Sancey L,Motto-Ros V,Kotb S,et al.Laser-induced breakdown spectroscopy:A new approach for nanoparticle′s mapping and quantification in organ tissue[J].Journal of Visualized Experiments,2014(88):e51353. [9] Khan M N,Wang Q Q,Idrees B S,et al.Evaluation of human melanoma and normal formalin paraffin-fixed samples using Raman and LIBS fused data[J].Lasers in Medical Science,2022,37(5):2489-2499. [10] Moon Y,Han J H,Choi J H,et al.Mapping of cutaneous melanoma by femtosecond laser-induced breakdown spectroscopy[J].Journal of Biomedical Optics,2019,24(3):031011. [11] Abbas Q,Israr M A,Haq S U,et al.Exploiting calibration free laser-induced breakdown spectroscopy (CF-LIBS) for the analysis of food colors[J].Optik,2021,236:166531. [12] Zhang D,Nie J F,Niu X C,et al.Time-resolved spectral-image laser-induced breakdown spectroscopy for precise qualitative and quantitative analysis of milk powder quality by fully excavating the matrix information[J].Food Chemistry,2022,386:132763. [13] Lei W Q,El H J,Motto-Ros V,et al.Comparative measurements of mineral elements in milk powders with laser-induced breakdown spectroscopy and inductively coupled plasma atomic emission spectroscopy[J].Analytical and Bioanalytical Chemistry,2011,400(10): 3303-3313. [14] Zhang W H,Zhuo Z,Lu P,et al.LIBS analysis of the ash content,volatile matter,and calorific value in coal by partial least squares regression based on ash classification[J].Journal of Analytical Atomic Spectrometry,2020,35(8):1621-1631. [15] Li J M,Xu M L,Ma Q X,et al.Sensitive determination of silicon contents in low-alloy steels using micro laser-induced breakdown spectroscopy assisted with laser-induced fluorescence[J].Talanta,2019,194:697-702. [16] Ruan F Q,Hou L,Zhang T L,et al.A modified backward elimination approach for the rapid classification of Chinese ceramics using laser-induced breakdown spectroscopy and chemometrics[J].Journal of Analytical Atomic Spectrometry,2020,35(3):518-525. [17] Ruan F Q, Hou L,Zhang T L,et al.A novel hybrid filter/wrapper method for feature selection in archaeological ceramics classification by laser-induced breakdown spectroscopy[J].Analyst,2021,146(3):1023-1031. [18] Zeng Q,Pan C Y,Li C Y,et al.Online monitoring of corrosion behavior in molten metal using laser-induced breakdown spectroscopy[J].Spectrochimica Acta Part B:Atomic Spectroscopy,2018,142:68-73. [19] Delgado T,Ruiz J,Cabalin L M,et al.Distinction strategies based on discriminant function analysis for particular steel grades at elevated temperature using stand-off LIBS[J].Journal of Analytical Atomic Spectrometry,2016,31(11):2242-2252. [20] Zhang W,Zhou R,Liu K,et al.Sulfur determination in laser-induced breakdown spectroscopy combined with resonance Raman scattering[J].Talanta,2020,216:120968. [21] Hrdlicka A,Hegrova J,Buckova M,et al.Feasibility of direct analysis of algae contamination with chromium and copper on the filter with laser-induced breakdown spectroscopy and laser ablation inductively coupled plasma mass spectrometry[J].Spectrochimica Acta Part B:Atomic Spectroscopy,2022,195:106488. [22] Tian Z H,Li X L,Wang G,et al.Elemental and proximate analysis of coal by X-ray fluorescence assisted laser-induced breakdown spectroscopy[J].Plasma Science & Technology,2022,24(8):084007. [23] Lu N L,Xiang F L,Fan Y,et al.A review of artificial neural network based chemometrics applied in laser-induced breakdown spectroscopy analysis[J].Spectrochimica Acta Part B:Atomic Spectroscopy,2021,180:106183. [24] Zhang T L,Wu S,Tang H S,et al.Progress of chemometrics in laser-induced breakdown spectroscopy analysis[J].Chinese Journal of Analytical Chemistry,2015,43(6):939-948. [25] 周昭露,李杰,黄生权,等.近红外光谱技术在中药质量控制应用中的化学计量学建模:综述和展望[J].化工进展,2016,35(6):1627-1645. ZHOU Zhaolu,LI Jie,HUANG Shengquan,et al.Development of chemometric modelling in the application of NIR to the quality control of Chinese herbal medicine:Literature review and future perspectives[J].Chemical lndustry and Engineering Progress,2016,35(6):1627-1645. [26] Dong F Z,Chen X L,Wang Q,et al.Recent progress on the application of LIBS for metallurgical online analysis in China[J].Frontiers of Physics,2012,7(6):679-689. [27] 孙兰香,汪为,张鹏,等.激光诱导击穿光谱在冶金在线分析中的应用研究进展[J].冶金分析,2021,41(12):58-67. SUN Lanxiang,WANG Wei,ZHANG Peng,et al.Research progress of laser-induced breakdown spectroscopy in metallurgical online analysis application[J].Metallurgical Analysis,2021,41(12):58-67. [28] Rifai K,Ozcan L,Doucet F,et al.Quantification of copper,nickel and other elements in copper-nickel ore samples using laser-induced breakdown spectroscopy[J].Spectrochimica Acta Part B:Atomic Spectroscopy,2020,165:105766. [29] Yin Y S,Zhang X Y,Li A,et al.High-precision and rapid in situ ore element detection based on laser-induced breakdown spectroscopy[J].Journal of Physical Chemistry C,2023,127(26):12655-12661. [30] Alvarez J,Velasquez M,Sandoval-Munoz C,et al.Improved mineralogical analysis in copper ores by laser-induced breakdown spectroscopy[J].Journal of Analytical Atomic Spectrometry,2022,37(10):1994-2004. [31] Velasquez M,Alvarez J,Sandoval C,et al.Improved elemental quantification in copper ores by laser-induced breakdown spectroscopy with judicious data processing[J].Spectrochimica Acta Part B:Atomic Spectroscopy,2022,188:106343. [32] Wang P,Li N,Yan C H,et al.Rapid quantitative analysis of the acidity of iron ore by the laser-induced breakdown spectroscopy(LIBS) technique coupled with variable importance measures-random forests(VIM-RF)[J].Analytical Methods,2019,11(27):3419-3428. [33] Ding Y,Yan F,Yang G,et al.Quantitative analysis of sinters using laser-induced breakdown spectroscopy(LIBS) coupled with kernel-based extreme learning machine(K-ELM)[J].Analytical Methods,2018,10(9):1074-1079. [34] Gruenberger S,Ehrentraut V,Eschlboeck-Fuchs S,et al.Overcoming the matrix effect in the element analysis of steel:Laser ablation-spark discharge-optical emission spectroscopy(LA-SD-OES) and laser-induced breakdown spectroscopy(LIBS)[J].Analytica Chimica Acta,2023,1251:341005. [35] Yang L Y,Ding Y,Zhan Y,et al.Quantitative analysis of Mn and Ni elements in steel based on LIBS and GA-PLS[J].Spectroscopy and Spectral Analysis,2022,42(6):1804-1808. [36] 张子旭,侯佳佳,冯中琦,等.用于合金钢分析的微型双脉冲激光诱导击穿光谱技术[J].冶金分析,2023,43(7):21-28. ZHANG Zixu,HOU Jiaiia,FENG Zhongqi,et al.A dual-pulse micro laser-induced breakdown spectroscopy for analysis of alloy steel[J].Metallurgical Analysis,2023,43(7):21-28. [37] He J,Pan C Y,Liu Y B,et al.Quantitative analysis of carbon with laser-induced breakdown spectroscopy(LIBS) using genetic algorithm and back propagation neural network models[J].Applied Spectroscopy,2019,73(6):678-686. [38] Ni Y,Fan B W,Fang B,et al.Elemental determination in stainless steel via laser-induced breakdown spectroscopy and back-propagation artificial intelligence network with spectral pre-processing[J].Chemosensors,2022,10(11):472. [39] Traparic I,Ivkovic M.Determination of austenitic steel alloys composition using laser-induced breakdown spectroscopy(LIBS) and machine learning algorithms[J].European Physical Journal D,2023,77(2):30. [40] Rao A P,Jenkins P R,Vu D M,et al.Rapid quantitative analysis of trace elements in plutonium alloys using a handheld laser-induced breakdown spectroscopy(LIBS) device coupled with chemometrics and machine learning[J].Analytical Methods,2021,13(30):3368-3378. [41] Hu J,Yang L,Lin T,et al.Research on a LIBS-based detection method of medium-and-low alloy steel hardness[J].Journal of Analytical Atomic Spectrometry,2022,37(11):2309-2319. [42] Huang J,Dong M,Lu S,et al.Estimation of the mechanical properties of steel via LIBS combined with canonical correlation analysis(CCA) and support vector regression(SVR)[J].Journal of Analytical Atomic Spectrometry,2018,33(5):720-729.
