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

IF 3.2 2区 化学 Q1 SPECTROSCOPY Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2024-05-01 DOI:10.1016/j.sab.2024.106933
Mingxin Shi , Jian Wu , Jinghui Li , Di Wu , Ning Wang , Yiguo Chen , Xinyu Guo , Yan Qiu , Ying Zhou , Aici Qiu
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摘要

为满足原位分析的需求,建立了光纤激光诱导击穿光谱(FO-LIBS)系统来预测元素浓度和热解参数。通过优化脉冲能量、栅极延迟、周围气体类型和气体流速等关键参数,提高了光谱线的信噪比,并研究了不同气体环境下等离子体形态的演变特征。在优化的实验条件下,基于偏最小二乘法回归,利用颗粒样品对 C、H、Si、Ca、Fe 和 Mg 进行了标定,天然样品的平均相对预测误差低于 10%。此外,还利用支持向量回归法预测了 TOC、Pg 和 Tmax 等热解参数,所有校准曲线的 R2 均大于 0.97。利用预测的 TOC 和 Pg 评估了碳氢化合物的丰度和生成潜力,而 Tmax 则有助于评估角质的热成熟度。
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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.

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来源期刊
CiteScore
6.10
自引率
12.10%
发文量
173
审稿时长
81 days
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.
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