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FUEL · 2022 · IF 8.035

The impact of nitrogen-containing compounds on the S-vacancies over the iron-based catalysts for direct coal liquefaction during the pre-sulfurization process

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 · 催化科学
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2023 · IF 5.2

Oxygen self-doped hierarchical porous carbons derived from coal liquefaction residue for high-performance supercapacitors in organic and ionic liquid-based electrolytes

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 · 能源存储
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RSC Advances · 2015 ·Vol. 5 ·期 56 ·45575-45581 · IF 3.84

Improving the fuel properties of biodiesel via complementary blending with diesel from direct coal liquefaction

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 · 化学工程
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JOURNAL OF THE ENERGY INSTITUTE · 2025 · IF 6.2

Catalytic hydrofining of thermal dissolution-derived liquefied oil from Dongming lignite into cyclanes-rich liquid fuel over Co-CoNx@C650

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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FUEL · 2025 · IF 7.5

Study on the flotation separation efficiency of surfactants on the coal direct liquefaction residue raffinate

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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Frontiers of Chemical Science and Engineering · 2022 ·Vol. 16 ·期 12 ·1689-1699 · IF 4.803

Regulation of radicals by hydrogen-donor solvent in direct coal liquefaction

Li Wang,Li Wen-Ying,Wang Xing-Bao,Feng Jie

Radicals are important intermediates in direct coal liquefaction. Certain radicals can cause the cleavage of chemical bonds. At high temperatures, radical fragments can be produced by the splitting of large organic molecules, which can break strong chemical bonds through the induction pyrolysis of radicals. The reaction between the formation and annihilation of coal radical fragments and the effect of hydrogen-donor solvents on the radical fragments are discussed in lignite hydrogenolysis. Using the hydroxyl and ether bonds as indicators, the effects of different radicals on the cleavage of chemical bond were investigated employing density functional theory calculations and lignite hydrogenolysis experiments. Results showed that the adjustment of the coal radical fragments could be made by the addition of hydrogen-donor solvents. Results showed that the transition from coal radical fragment to H radical leads to the variation of product distribution. The synergistic mechanism of hydrogen supply and hydrogenolysis of hydrogen-donor solvent was proposed.

研究领域: 化学工程 · 物理化学 · 能源科学
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FUEL PROCESSING TECHNOLOGY · 2016 · IF 3.847

Separation of coal liquid distillate by dimethyl sulfoxide

Wen-Jun Fan,Jie Feng,Mei-Xiang Wu,William Turmel,Wen-Ying Li

Efficient separation of different chemical components in liquid hydrocarbons from direct coal liquefaction is a meaningful process. This paper aims to separate the 150–180   °C coal liquid distillate into three fractions: aromatics, alkanes, and phenolics . The coal liquid distillate is composed mostly of hundreds of single-ring compounds and is not easy to study directly. Therefore, a model of the distillate on a molar ratio was defined as 1   t-butylbenzene (TBB): 1   t-butylcyclohexane (TBC): 1 phenol . And dimethyl sulfoxide (DMSO) was selected as the solvent to separate them from each other. The model compounds' vapor–liquid equilibrium shows that DMSO's effectiveness is obvious. In TBB-TBC-phenol ternary system , DMSO can entrain TBB into the light fraction and keep phenol in the heavy fraction, while TBC is in the middle fraction, which isn't affected. DMSOs' influence was studied and divided as follow: the hydrogen bond terminator between TBB and phenol, an entrainer for TBB, and an extractant for phenol. Finally the 150–180   °C coal liquid distillate is separated via batch distillation into three fractions: 150–160   °C fraction (containing 79.17   wt. % aromatics and 20.25   wt. % alkanes), 160–185   °C fraction (containing 81.30   wt. % alkanes and 17.69   wt. % aromatics) and a bottom product (containing 27.95   wt. % phenolics and 72.05   wt. % DMSO).

研究领域: 能源化学 · 分离科学 · 煤液化 · 化学工程
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