Determinatin of nickel and vanadium in residue oil by laser-induced breakdown spectroscopy combined with partial least squares
LIU Liang1, YAN Chunhua1, LI Maogang1, ZHANG Tianlong2, TANG Hongsheng2, LI Hua*1,2
1. College of Chemistry and Chemical Engineering,Xi'an Shiyou University,Xi'an 710065,China; 2. Key Laboratory of Synthetic and Natural Functional Molecule of the Ministry of Education, College of Chemistry & Materials Science,Northwest University,Xi'an 710127,China
Abstract:The rapid analysis of metal elements in residue oil is of great significance for the product quality of residue oil and the efficiency of refining process.Different residue oil samples were obtained from a refinery,calcined and ground into powder,and mixed according to different mass ratios to obtain residue oil samples.In this study,the laser-induced breakdown spectroscopy(LIBS) was combined with chemometrics to establish a rapid quantitative method for the analysis of nickel(Ni) and vanadium(V) in residue oil.Firstly,the partial least squares(PLS) model for the quantitative analysis of Ni and V in residue oil was constructed based on the LIBS spectra of 20 different samples.Secondly,the effects of different preprocessing and variable selection methods on the prediction performance of PLS calibration model were investigated.The results showed that for Ni and V in residue oil,the PLS model based on first derivative-multiplicative scatter correction and synergetic interval PLS(D1st-MSC-siPLS) and PLS model based on second derivative-multiplicative scatter correction and synergetic interval PLS(D2nd-MSC-siPLS) had the optimal prediction results.The optimal determination coefficients (R2p) were 0.986 4 and 0.981 2, and root mean square errors(RMSEp) were 1.440 2 and 0.588 8 mg/kg,and the mean relative errors (MREp) were 3.89% and 1.85%,respectively.Therefore,the combination of LIBS technique with PLS algorithm could provide a feasible method for the quantitative analysis of Ni and V elements in reside oil.
刘良, 闫春华, 李茂刚, 张天龙, 汤宏胜, 李华. 激光诱导击穿光谱结合偏最小二乘测定渣油中镍钒[J]. 冶金分析, 2024, 44(10): 87-94.
LIU Liang, YAN Chunhua, LI Maogang, ZHANG Tianlong, TANG Hongsheng, LI Hua. Determinatin of nickel and vanadium in residue oil by laser-induced breakdown spectroscopy combined with partial least squares. , 2024, 44(10): 87-94.
[1] Rana S M,Sámano V,Ancheyta J,et al.A review of recent advances on process technologies for upgrading of heavy oils and residua[J].Fuel,2006,86(9):1216-1231. [2] 穆福军,隋宝宽,刘文洁,等.渣油加氢处理催化剂失活研究[J].石油化工,2022,51(9):1044-1051. MU Fujun,SUI Baokuan,LIU Wenjie,et al.Study on deactivation of catalyst for residuum hydrotreating[J].Petrochemical Industry,2022,51(9):1044-1051. [3] 杨刚,张成,隋宝宽,等.典型固定床渣油加氢处理装置金属沉积规律的共性研究[J].当代化工,2017,46(6):4-6. YANG Gang,ZHANG Cheng,SUI Baokuan,et al.Commonality study of metal deposition patterns in typical fixed-bed residue hydrotreating units[J].Contemporary Chemical,2017,46(6):4-6. [4] 李延军,任磊,李子锋,等.镍对接触剂上渣油接触裂化反应的影响[J].石油炼制与化工,2022,53(2):40-45. LI Yanjun,REN Lei,LI Zifeng,et al.Influence of nickel on the contact cracking reaction of residual oil on contact agent[J].Petroleum Refining and Chemical,2022,53(2):40-45. [5] 徐海,于道永,王宗贤,等.镍和钒对石油加工过程的影响及对策[J].炼油设计,2000(11):1-5. XU Hai,YU Daoyong,WANG Zongxian,et al.Impacts of nickel and vanadium on petroleum processing and countermeasures[J].Refinery Design,2000(11):1-5. [6] 张腊梅,苟鼎,黄红琴,等.微波消解-原子吸收光谱法检测渣油加氢尾油中钼金属含量[J].精细石油化工,2022,39(1):36-40. ZHANG Lamei,GOU Ding,HUANG Hongqin,et al.Determination of molybdenum in residue hydrotreating tail oil by microwave digestion and atomic absorption spectrometry[J].Fine Petroleum Chemicals,2022,39(1):36-40. [7] Zhang B,Sun C,Yu X.Sensitive and accurate determination of nitrogen in simulated Martian soil and environment with LIBS spectrum fusion and regression based on neural network[J].Spectrochimica Acta Part B:Atomic Spectroscopy,2023,206:106708. [8] 刘烨坤,郝晓剑,杨彦伟,等.腔体约束LIBS结合机器学习对土壤重金属元素的定量分析[J].光谱学与光谱分析,2022,42(8):2387-2391. LIU Yekun,HAO Xiaojian,YANG Yanwei,et al.Cavity-constrained LIBS combined with machine learning for quantitative analysis of soil heavy metal elements[J].Spectroscopy and Spectral Analysis,2022,42(8):2387-2391. [9] Liu X Q,Yan C H,An D Y,et al.Rapid quantitative analysis of rare earth elements Lu and Y in rare earth ores by laser induced breakdown spectroscopy combined with iPLS-VIP and partial least squares[J].RSC Advances, 2023,13(22):15347-15355. [10] 李茂刚,梁晶,闫春华,等.基于激光诱导击穿光谱技术结合随机森林算法快速定量分析土壤中重金属元素[J].分析化学,2021,49(8):1410-1418. LI Maogang,LIANG Jing,YAN Chunhua,et al.Rapid quantitative analysis of heavy metal elements in soil based on laser-induced breakdown spectroscopy combined with random forest algorithm[J].Chinese Journal of Analytical Chemistry,2021,49(8):1410-1418. [11] Wang C,Li H L,Sun J X,et al.Study on enrichment characteristics of Chinese herbal medicine based on LIBS technology[J].Optoelectronics Letters,2023,19(2):88-94. [12] Yurtaeva A S,Sorokina T P,Plekhova K S,et al.Effect of modification conditions on the physicochemical characteristics of Y zeolite as a component of a petrochemical cracking catalyst [J].Petroleum Chemistry,2021,61:325-331. [13] Ivo K,Karel N,Vojtěch W,et al.Distinguishing secondary uranium mineralizations in uranium ore using LIBS imaging[J].Spectrochimica Acta Part B:Atomic Spectroscopy,2023,206:106734. [14] Aslam M K,Muhammad N S,Siddique M K,et al.Comparative elemental analysis of soil of wheat,corn,rice,and okra cropped field using CF-LIBS[J].Optik,2022,261:169247. [15] Xu W,Chen S,Tan Y,et al.Total alkali silica classification of rocks with LIBS:Influences of the chemical and physical matrix effects[J].Journal of Analytical Atomic Spectrometry,2020,35(8):1641-1653. [16] 刘一江,闫春华,李茂刚,等.激光诱导击穿光谱(LIBS)结合机器学习算法快速测定石油焦中微量元素[J].中国无机分析化学,2024,14(2):197-204. LIU Yijiang,YAN Chunhua,LI Maogang,et al.Rapid determination of trace elements in petroleum coke by laser-induced breakdown spectroscopy(LIBS) combined with machine learning algorithm[J].Chinese Journal of Inorganic Analytical Chemistry,2024,14(2):197-204. [17] 吴鼎,海然,刘平,等.基于激光诱导击穿光谱地沟油鉴别的初步探究[J].科学通报,2014,59(21):2071-2076. WU Ding,HAI Ran,LIU Ping,et al.A preliminary investigation of gutter oil identification based on laser-induced breakdown spectroscopy[J].Science Bulletin,2014,59(21):2071-2076. [18] Aissa H,Josette H E,Alain B,et al.Rapid determination of bitumen content in athabasca oil sands by laser-induced breakdown spectroscopy[J].Energy Fuels,2018,32(3):3189-3193. [19] Ding Y,Wang Y F,Chen J,et al.Substrate-assisted laser-induced breakdown spectroscopy combined with variable selection and extreme learning machine for quantitative determination of fenthion in soybean oil[J].Photonics,2024,11(2):129-144. [20] 朱红求,邹胜男,阳春华,等.基于特征区间联合-偏最小二乘的Zn(Ⅱ)、Co(Ⅱ)同时测量方法[J].光学学报,2017,37(6):339-346. ZHU Hongqiu,ZOU Shengnan,YANG Chunhua,et al.Simultaneous measurement of Zn(Ⅱ) and Co(Ⅱ) based on joint-partial least squares of characteristic intervals[J].Journal of Optics,2017,37(6):339-346.