INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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2025
·
IF 3.9
Jian Wei,Yucui Hou,Tianqi Huang,Aohua Zheng,Shuhang Ren,Weize Wu
Identifying the source of products in lignin hydro-liquefaction oil is crucial for assessing the lignin conversion efficiency. The utilization of hydrogen donor solvents (HDSs) complicates the determination of whether polycyclic aromatic hydrocarbons (PAHs) derive from lignin or HDS. Thus, identifying the source of PAHs in the oil can improve our understanding of lignin structures and enhance its utilization. To address this challenge, 1,2,3,4-tetrahydroquinoline (THQ) was used as an HDS to trace products within the oil. The results showed that (1) lignin could be completely liquefied in THQ under optimal conditions: a THQ/lignin mass ratio of 0.5, a reaction temperature of 450 °C, an initial H2 pressure of 8 MPa, a reaction time of 4 h, and a molybdenum sulfide/lignin mass ratio of 1; (2) PAHs with 2–6 rings were identified in the oil and confirmed to derive solely from lignin through qualitative and quantitative analyses via GC–MS rather than THQ.
研究领域:
能源化学
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环境科学
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生物质转化
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DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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2013
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IF 2.206
Yucui Hou,Yuehong Ren,Wei Peng,Shuhang Ren,Weize Wu
Phenolic compounds, which are important substances in industry, are mainly derived from coal liquefaction oil, coal tar, and petroleum, and also from biomass via pyrolysis. However, the traditional process of separation of phenols from oil using water, NaOH, and H2SO4 causes serious environmental problems. In this work, imidazolium-based ionic liquids (ILs) were used to extract phenol from a model oil of hexane and phenol in order to reduce environmental risk. It was found that these ILs could successfully separate phenols from hexane, and a small amount of [Bmim]Cl, equimolar to that of phenol in hexane, was enough to extract phenol with a high extraction efficiency of 99%. Anions of imidazolium-based ILs have a significant influence on the phenol extraction efficiency, which follows the order: Cl– > Br– > BF4– > PF6–. But the cation of these ILs shows a relatively small influence on the extraction. Particularly, [Bmim]Cl shows best performance in terms of phenol extraction efficiency. Furthermore, it is not sensitive to temperature changes and can be performed at ambient temperature. The extracted phenol in ILs could be recovered by evaporation, and the regenerated ILs could be reused for four cycles with no obvious loss in the phenol extraction efficiency. [Bmim]Cl was also used to extract phenols from real coal liquefaction oil, and the extraction efficiency of phenols could reach 90%.
研究领域:
化学工程
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环境科学
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DOI
高影响因子
FUEL
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2025
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IF 7.5
Fange Kong,Ying Zhang,Yilin Liu,Yahe Zhang,Quan Shi,Linzhou Zhang
Different oxygen species exhibit distinct reactivities and properties in fossil fuels such as petroleum and coal liquid products. Elucidating the structural characteristics of these oxygen-containing compounds is essential for effective process design and optimal feedstock selection. The presented study introduces a method combining hydrogen/deuterium exchange (HDX) with high-resolution mass spectrometry to analyze the molecular composition and functional group types of oxygen-containing compounds. Utilizing perdeuterated methanol and toluene as the solvent, we achieved an average HDX depths exceeding 95% across model compounds. The high degree of HDX allows for the inference of oxygen functional groups based on the number of incorporated deuterium atoms. Application to representative fossil fuels (coal tar, coal liquefaction oil, and crude oil) revealed substantial differences oxygen speciation both between different oils and within individual oils. The HDX provided enhanced structural insights into oxygen-containing compounds in coal-derived liquids. Specifically, phenols in coal tar were found to predominantly contain 1–4 hydroxyl groups, with higher-order hydroxylation being negligible. Oxygenated derivatives with dibenzo-α-pyrone core structures were detected as characteristic components in coal-derived products. In contrast, the predominant dioxygenated species in crude oil were carboxylic acids. Furthermore, HDX analysis elucidated the removal selectivity of oxygen functional groups during hydrotreating of coal liquefaction oil.
研究领域:
分析化学
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能源科学
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DOI
高影响因子
Separations
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2025
·Vol. 12
·期 2
·22
·
IF 2.7
Huan-Huan Fan,Xiang-Ling Wang,Jie Feng,Wen-Ying Li
A comprehensive understanding of the compositions and physicochemical properties of coal-based liquids is conducive to the rapid development of multipurpose, high-performance, and high-value functional chemicals. However, because of their complex compositions, coal-based liquids generate two-dimensional gas chromatography (GC × GC) chromatograms that are very complex and very time consuming to analyze. Therefore, the development of a method for accurately and rapidly analyzing chromatograms is crucial for understanding the chemical compositions and structures of coal-based liquids, such as direct coal liquefaction (DCL) oils and coal tar. In this study, DCL oils were distilled and qualitatively analyzed using GC × GC chromatograms. A deep-learning (DL) model was used to identify spectral features in GC × GC chromatograms and predominantly categorize the corresponding DCL oils as aliphatic alkanes, cycloalkanes, mono-, bi-, tri-, and tetracyclic aromatics. Regional labels associated with areas in the GC × GC chromatograms were fed into the mask-region-based convolutional neural network’s (Mask R-CNN’s) algorithm. The Mask R-CNN accurately and rapidly segmented the GC × GC chromatograms into regions representing different compounds, thereby automatically qualitatively classifying the compounds according to their spots in the chromatograms. Results show that the Mask R-CNN model’s accuracy, precision, recall, F1 value, and Intersection over Union (IoU) value were 93.71%, 96.99%, 96.27%, 0.95, and 0.93, respectively. DL is effective for visually comparing GC × GC chromatograms to analyze the compositions of chemical mixtures, accelerating GC × GC chromatogram interpretation and compound characterization and facilitating comparisons of the chemical compositions of multiple coal-based liquids produced in the coal and petroleum industry. Applying DL to analyze chromatograms improves analysis efficiency and provides a new method for analyzing GC × GC chromatograms, which is important for fast and accurate analysis.
研究领域:
化学工程
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人工智能
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能源科学
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产品关联
DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
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2025
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IF 9
Xiaolong Shi,Yuncai Song,Yewen Wang,Jie Feng,Wen-Ying Li
The separation of high-purity aromatic monomers from direct coal liquefaction (DCL) contributes to their value-added utilization. However, the complexity of its components often leads to additional reactions. To achieve efficient separation of monocyclic aromatics from DCL, this paper proposes a separation strategy of ‘fractionation − column chromatography − extractive distillation’ through precise regulation of weak intermolecular interaction forces. The results showed that monocyclic aromatics are enriched up to 19.12 wt% through fractionation, followed by the separation of mixed aromatics via atmospheric pressure column chromatography. Finally, o-xylene with a purity of 99.16 wt% was separated by extractive distillation using sulfolane as the solvent. The separation mechanisms are investigated through quantum chemical calculations and UV–vis analysis. Results indicated that the polarity difference was the driving force for separating mixed aromatics. The interaction between the solvent and the C8 aromatics in the extractive distillation was primarily governed by Van der Waals forces. The difference in interaction energy, ranging from 2.22 to 6.53 kJ/mol, serves as the driving force for the separation of o-xylene. The separation strategy proposed in this study provides a new perspective for the separation of high-purity aromatic monomers from DCL.
研究领域:
化学工程
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分离科学
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产品关联
DOI
高影响因子
JOURNAL OF THE ENERGY INSTITUTE
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2025
·
IF 6.2
Hao-Dong An,Guang-Hui Liu,Yan-Jun Li,Ling-Zhi Tuo,Yu-Hong Kang,Zhi-Ping Wang,Yong Gao,Chen Shi,Yun-Yan Gao,Xian-Yong Wei
Hydrofining of low-grade lignite liquefied oils into high-density liquid fuels is a critical pathway for their value-added utilization. However, abundant condensed aromatic rings (ARs) and O atoms in such crude oils pose significant challenges for secondary upgrading, particularly in achieving concurrent AR hydrogenation and hydrodeoxygenation in one-pot to produce alkyl cyclanes. In view of this, Co-CoN x @C 650 was constructed by a cascade preparation strategy consisting of in-situ co-pyrolysis and NH 3 nitridation. It has highly dispersed Co-CoN x dual-sites and carbon substrate with abundant defects/vacancies, and exhibits good performance in AR hydrogenation and hydrodeoxygenation. In addition, this catalyst can effectively activate H 2 and promote the synergistic transfer of H ··· H, δ+ H ··· H δ− , and H · . Good accessibility, cyclic stability, and renewability make it suitable for the hydrogenation of medium/large-sized molecules such as naphth-2-ol and aryl ethers into cyclanes. The liquefied oil (SP TD ) from Dongming lignite thermal dissolution in n -hexane is rich in aromatics (76.1 %), while refined oil (CHSP TD ) from catalytic hydrofining over Co-CoN x @C 650 is rich in saturated hydrocarbons (91.7 %), especially alkyl cyclanes (69.8 %). The efficient conversion of aromatic-oxygenated moieties demonstrated by Co-CoN x @C 650 provides a new solution for converting low-grade lignite liquefied oils into value-added cyclanes-rich liquid fuels.
研究领域:
能源化学
·
催化材料科学
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产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）