INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
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2024
·
IF 8.1
Xizhuang Qin,Tao Shen,Guanbo Li,Lei Shi,Zhenyu Liu,Qingya Liu
In order to obtain chemically meaningful and extendable kinetics for direct coal liquefaction (DCL) the experimental coal conversion ( X C ) and oil yield ( Y O ) are correlated with coal constituents and the conditions. The coal is assumed to have three constituents mimicking its maceral constituents liptinite, vitrinite and inertinite. The quantities of them are estimated based on the TG curve of coal, and correlated with the X C and Y O by non-linear regression. For Naomaohu (NMH) coal that is dominant with the vitrinite and Shangwan (SW) coal that has similar contents of vitrinite and inertinite, the three-constituent kinetics model is significantly better than that of traditional single-component kinetics model that requires the regression-determined maximum conversion X C,M and maximum oil yield Y O,M . The k 1 for the vitrinite-like component a 1 is always much larger than k 2 for the inertinite-like component a 2, and k 1 usually shows a better relationship with 1/T than k 2 . The E a of NMH for X C and Y O are close to each other, suggesting a high content of weak bonds in the structure; whereas the E a of SW for Y O is significantly larger than that of X C , suggesting that many oil originates from the secondary reaction rather than the primary covalent bond cleavage.
研究领域:
化学工程
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能源科学
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DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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2013
·
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
·
2022
·
IF 8.035
Yang Bai,Fuxiang Feng,Lei Tian,Yankun Xiong,Yong Yang,Qiang Guo,Yuan Liu
To advance the direct coal liquefaction (DCL) technology by a “Catalytic cycle of hydrogen donor solvents” pathway, it was important for the iron-based DCL catalyst to be pre-sulfurized under a suitable condition. In this report, the effect of liquid medium in the slurry bed pre-sulfurization process on iron-based catalyst was studied. Catalysts were pre-sulfurized under a variety of liquid mediums including alkanes, aromatics and heteroatom-containing compounds and the activity were evaluated according to their performance on hydrogenation of naphthalene . It was observed that, the nitrogen-containing medium give rise to the significant negative influence on the catalytic activity (with only 2.5 %-15.3 % of naphthalene conversions). Multiple spectroscopic and microscopic analyses of catalysts exhibited that the decrease of S vacancies was mainly responsible for the low activity. It was due to the promotion effect on Fe 1-x S crystallization and troilite generation. S vacancies of the iron-based catalysts was considered as Lewis acid sites to catalyze the hydrogenation reaction. The new findings from this work is beneficial for the development and optimization of pre-sulfurization technology .
研究领域:
化学工程
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催化科学
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DOI
高影响因子
FUEL
·
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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高影响因子
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
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2023
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IF 5.2
Xianglong Wang,Baolin Liu,Shiqiang Wang,Hongtao Xie,Ya Zha,Xueli Huang,Diogo M.F. Santos,Yizhao Li
Rational design of electrodes from suitable materials is vital for developing supercapacitors . Herein, oxygen self-doped hierarchical porous carbons (OHPCs) are prepared by a two-step heat treatment using coal liquefaction residues (CLR) and potassium hydroxide (KOH) as raw material and activation agent, respectively. The oxygen-containing functional group undergoes a redox reaction during the energy storage process to increase the pseudocapacitance when OHPC is used as electrode material for supercapacitor . Density functional theory (DFT) calculations show that the doping oxygen species in carbon enhances the adsorption to the electrolyte and provides a fast electron transfer pathway. The OHPC-600 (obtained at 600ºC) presents high specific capacitance of 457 F g −1 at 0.5 A g −1 , superior rate capability with capacitance of 261 F g −1 at 50 A g −1 . The assembled symmetric supercapacitors also exhibit outstanding cycling life with 93% retention over 10000 cycles at 4 A g −1 Moreover, when the aqueous electrolyte is replaced by an organic electrolyte or ionic liquid , this device delivers a remarkable energy density of 35.2 Wh kg −1 and 46.5 Wh kg −1 at a power density of 10000 W kg −1 , respectively. This study provides a reference for the prepare of novel carbon-based electrode materials and the effective exploitation of coal resources for energy storage.
研究领域:
材料科学
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能源存储
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DOI
高影响因子
Separations
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2025
·Vol. 12
·期 2
·22
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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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DOI
高影响因子
FUEL
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2024
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IF 6.7
Xiao-Dong Zhou,Xue-Long Yin,Lang Liu,Xue-Li Huang,Jing-Mei Liu,Ting Liu,He Lin,Feng-Yun Ma
Understanding hydrogen activation is crucial for improving the performance of direct coal liquefaction (DCL) which is essential for the clean, efficient conversion of coal to fuel oils and aromatic chemicals. Three hydrogen sources are involved in DCL: solvent hydrogen (SH), dissolved hydrogen that reacts directly (DHD), and dissolved hydrogen that reacts through a solvent (DHS). Quantitatively studying DHS is challenging because it is generated through the dehydrogenation of hydrogen-donor solvents produced via the hydrogenation of gas-phase H 2 and solvents. This research establishes for the first time a quantitative method for determining DHS consumption (DHSC) based on protium- and deuterium-nuclear-magnetic-resonance results for solvents after isotope-tracer reactions. Comparative experiments and quantum-chemical calculations were performed to confirm the method’s reliability. The isotope-tracer method showed that DHSC accounts for < 7 % of the total hydrogen consumption under catalysis with ferric stearate, nickel stearate, or molybdenum 2-ethylhexanoate, while DHD consumption accounts for > 50 %. Thus, DHD, rather than DHS, is the primary hydrogen source for catalytic activation. Furthermore, the comparative experiments also showed that hydrogen consumption is greater for one hydrogen source than for the coexistence of the three hydrogen sources, indicating competition among the three sources. The quantum-chemical calculations showed that the competitiveness among the three sources follows the order of DHS < SH < DHD, this agrees with the order of hydrogen consumption in the isotope-tracer experiments. This study quantitatively reveals the mechanism responsible for hydrogen activation by catalysts and provides a scientific basis for optimization and mutual matching of solvents and catalysts.
研究领域:
化学工程
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能源科学
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DOI
高影响因子
RSC Advances
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2015
·Vol. 5
·期 56
·45575-45581
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IF 3.84
Jieni Wang,Weina Zhao,Yani Ai,Hongyan Chen,Leichang Cao,Sheng Han
Complementary blending of biodiesel from waste cooking oil (BWCO) with diesel from direct coal liquefaction (DDCL) was evaluated to improve the fuel properties. The fuel properties of the biodiesel blends with the addition of 0%, 2.5%, 5%, 10%, and 20% DDCL (vol) were determined. It indicated that blending complemented the individual deficiencies and superiorities of the two fuels. The oxidative stability and cold flow properties of BWCO were strongly improved. Simultaneously, the flash point and kinematic viscosity of DDCL were also enhanced. With the blending of 20 vol% DDCL with BWCO, all the main fuel properties of the blends were in accordance with EN 14214 and ASTM D6751. The fuel properties of DDCL–BWCO after storage for 100 days were also determined. In addition, variance analysis was performed using IBM SPSS Statistics to clarify the effect of adding DDCL on the fuel properties of BWCO.
研究领域:
能源科学
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化学工程
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DOI
高影响因子
FUEL
·
2025
·
IF 7.5
Miaolin Lv,Lunjing Yan,Huifang Niu,Cen Li,Meijun Wang,Jiao Kong,Weiren Bao,Jiancheng Wang,Liping Chang
In this paper, the transformation characteristics of coal tar asphalt with different structures (Medium-temperature asphalt (MCTP), High-temperature asphalt (HCTP), Coal liquefaction asphalt (CLP), and Refined asphalt (RCTP)) in the mesophase state were investigated, and the electrochemical performance of mesophase asphalt-based porous carbon was analyzed. The results show that the mesophase asphalt has a higher aromatic carbon ratio and lower aliphatic carbon ratio than the raw asphalt. CLP has the lowest aromaticity (f ar = 68.25 %), which is easy to condense but weak in reactivity. Although the aromaticity of MCTP is higher than that of CLP, its light component content is high and difficult to condense. Therefore, MCTP mesophase asphalt (MCTP-MP) has a larger interlayer spacing than CLP mesophase asphalt (CLP-MP). HCTP has abundant solid carbon and aromaticity, and the carbon layer structure of HCTP mesophase asphalt (HCTP-MP) tends to be more disordered (I D /I G = 0.6). RCTP has better condensation degree and suitable lightweight components (9.75 %) than other asphalts. This makes RCTP mesophase asphalt (RCTP-MP) have higher graphitization degree (I D /I G = 0.31) and good reactivity, and its derived porous carbon (RCTP-MPH) layer structure is efficiently stacked, which is more conducive to charge transport. The specific capacitance of RCTP-MPH is as high as 331F/g (0.5 A/g), and the power density of the RCTP-MPH electrode material is as high as 31.43 Wh/kg at a power density of 198.13 W/kg. After 10,000 cycles (5 A/g), the coulombic efficiency of the RCTP-MPH electrode material can reach 92.99 %.
研究领域:
材料科学
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能源化学
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产品关联
DOI
高影响因子
JOURNAL OF THE ENERGY INSTITUTE
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2025
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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
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催化材料科学
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DOI
高影响因子
International Journal of Coal Preparation and Utilization
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2025
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IF 2.1
Jinwei Diao,Peng Chen,Yong Huang,Xiaoqian Zhang,Ningbo Wang,Yanan Gao,Shaoxian Song,Jianbo Li
China heavily relies on foreign oil due to limited domestic resources. Oil shortages can be effectively alleviated through Indirect Coal Liquefaction (ICL), though its conversion efficiency is constrained by the coal’s ash content. Therefore, deep de-ashing of raw coal is vital for coal pyrolysis gasification. In this study, the methods for preparing high-purity coal and its impact on coal-to-oil conversion were investigated. When the stirring speed of the hydrophobic agglomerates reached 1800 r/min, the dosage of kerosene was 3 kg/t, and the dosage of methyl isobutyl carbinol (MIBC) and starch was increased to 300 g/t, high-purity coal with an ash content of 1.87% was successfully produced. The gangue mineral (including calcite, quartz and pyrite) removal was 69%. Compared to coal before de-ashing (with an ash content of 6.22%), the carbon conversion rate of high-purity coal in the pyrolysis gasification process increased by 2.28%, the relative CO content increased by 4.49%, and the relative CO2 content decreased by 3.69%, achieving a reduction in CO2 emissions. This is great significance in realizing the double control of carbon emission intensity and total emission.
研究领域:
煤化学
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能源化工
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洁净煤技术
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化学工程
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燃料加工
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产品关联
DOI
高影响因子
FUEL
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2025
·
IF 7.5
Jiali Guo,Xiaoshan Pei,Wenwen Dai,Panpan Fan,Ruizhi Dou,Changfu Feng,Qingyu Liu,Jiancheng Wang,Weiren Bao,Lianping Dong,Minqiang Fan
Given China’s coal-dominant energy structure, direct coal liquefaction (DCL) is vital for energy security, but it generates raffinate slag (RS) accounting for 20–30 wt% of input coal. RS features high carbon, sulfur, ash contents, and strong hydrophobicity, yet its utilization is hindered by intimate carbon-ash intergrowth and operational risks, necessitating efficient separation technologies. This study characterized RS via multi-dimensional analyses, revealing a bimodal particle size distribution (average 37.5 μm) and dominant 1.6–1.8 g/cm 3 density fraction (27.54 % ash), with partial dissociation in extreme density fractions indicating flotation potential. To improve hydrophobicity (untreated contact angle 126.5°), hydrophilic surfactants (HLB > 10: CTAB, SDBS, OP-10) were tested. OP-10 performed best, reducing contact angle to 84.6°by introducing C-O-C groups (boosting polar functional groups), despite lower adsorption capacity. At 2 kg/t dosage (no extra collectors/frothers), it achieved 74.45 % tailings ash, 58.5 % concentrate yield, and 89.3 % combustible recovery—outperforming CTAB/SDBS with lower reagent consumption. This provides a sustainable pathway for RS valorization, with future focus on carbon-ash complete liberation.
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DOI
高影响因子
危险品化学品经营许可证（带存储）