Mingxin Shi , Jian Wu , Jinghui Li , Di Wu , Ning Wang , Yiguo Chen , Xinyu Guo , Yan Qiu , Ying Zhou , Aici Qiu
{"title":"利用光纤激光诱导击穿光谱对页岩中的碳氢化合物进行元素定量和评估","authors":"Mingxin Shi , Jian Wu , Jinghui Li , Di Wu , Ning Wang , Yiguo Chen , Xinyu Guo , Yan Qiu , Ying Zhou , Aici Qiu","doi":"10.1016/j.sab.2024.106933","DOIUrl":null,"url":null,"abstract":"<div><p>To meet the demands of in situ analysis, a fiber-optic laser-induced breakdown spectroscopy (FO-LIBS) system was established to predict the elemental concentrations and pyrolytic parameters. The key parameters, including pulse energy, gate delay, type of surrounding gas, and flow rate of gas, were optimized to improve the signal-to-noise ratio of the spectral lines, and the evolution characteristics of the plasma morphology in different gas atmospheres were investigated. Under the optimized experimental conditions, C, H, Si, Ca, Fe, and Mg were calibrated using pellet samples based on partial least squares regression, and the average relative prediction error of the natural samples was lower than 10%. In addition, the support vector regression method was utilized to predict pyrolytic parameters such as TOC, Pg, and T<sub>max</sub> with the R<sup>2</sup> of all calibration curves being higher than 0.97. The abundance and generation potential of hydrocarbons were evaluated using the predicted TOC and Pg, and T<sub>max</sub> could contribute to the thermal maturity of the kerogen.</p></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"216 ","pages":"Article 106933"},"PeriodicalIF":3.2000,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Elemental quantitation and evaluation of hydrocarbon in shale using fiber-optic laser induced breakdown spectroscopy\",\"authors\":\"Mingxin Shi , Jian Wu , Jinghui Li , Di Wu , Ning Wang , Yiguo Chen , Xinyu Guo , Yan Qiu , Ying Zhou , Aici Qiu\",\"doi\":\"10.1016/j.sab.2024.106933\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>To meet the demands of in situ analysis, a fiber-optic laser-induced breakdown spectroscopy (FO-LIBS) system was established to predict the elemental concentrations and pyrolytic parameters. The key parameters, including pulse energy, gate delay, type of surrounding gas, and flow rate of gas, were optimized to improve the signal-to-noise ratio of the spectral lines, and the evolution characteristics of the plasma morphology in different gas atmospheres were investigated. Under the optimized experimental conditions, C, H, Si, Ca, Fe, and Mg were calibrated using pellet samples based on partial least squares regression, and the average relative prediction error of the natural samples was lower than 10%. In addition, the support vector regression method was utilized to predict pyrolytic parameters such as TOC, Pg, and T<sub>max</sub> with the R<sup>2</sup> of all calibration curves being higher than 0.97. The abundance and generation potential of hydrocarbons were evaluated using the predicted TOC and Pg, and T<sub>max</sub> could contribute to the thermal maturity of the kerogen.</p></div>\",\"PeriodicalId\":21890,\"journal\":{\"name\":\"Spectrochimica Acta Part B: Atomic Spectroscopy\",\"volume\":\"216 \",\"pages\":\"Article 106933\"},\"PeriodicalIF\":3.2000,\"publicationDate\":\"2024-05-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Spectrochimica Acta Part B: Atomic Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0584854724000776\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"SPECTROSCOPY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Spectrochimica Acta Part B: Atomic Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0584854724000776","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
Elemental quantitation and evaluation of hydrocarbon in shale using fiber-optic laser induced breakdown spectroscopy
To meet the demands of in situ analysis, a fiber-optic laser-induced breakdown spectroscopy (FO-LIBS) system was established to predict the elemental concentrations and pyrolytic parameters. The key parameters, including pulse energy, gate delay, type of surrounding gas, and flow rate of gas, were optimized to improve the signal-to-noise ratio of the spectral lines, and the evolution characteristics of the plasma morphology in different gas atmospheres were investigated. Under the optimized experimental conditions, C, H, Si, Ca, Fe, and Mg were calibrated using pellet samples based on partial least squares regression, and the average relative prediction error of the natural samples was lower than 10%. In addition, the support vector regression method was utilized to predict pyrolytic parameters such as TOC, Pg, and Tmax with the R2 of all calibration curves being higher than 0.97. The abundance and generation potential of hydrocarbons were evaluated using the predicted TOC and Pg, and Tmax could contribute to the thermal maturity of the kerogen.
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.