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ACS Omega · 2025 · IF 4.3

Analysis of Composition and Structure Characteristics of Heavy Hydrogenated Coal Tar and Its Subcomponents from Xinjiang, China

Yong Qu,Jingmei Liu,Xiaodong Zhou,Lang Liu,Ruitao Ma,Yongguo Su,Chunmei Ma,Pengtao Sun

Low-temperature coal tar (LTCT) is the preferred raw material for the catalytic hydrogenation of coal tar. In order to study and popularize the technology of preparing fuel oil by hydrogenation of LTCT, it is necessary to research its composition and structural characteristics. Heavy hydrogenated coal tar (HHCT) from a company in Xinjiang, which is a mixture of hydrorefined tail oil distillate (>350 °C) and hydrotreated circulating tail oil (>350 °C). To make scientific and customized use of HHCT, the chemical composition and molecular structure characteristics of HHCT and its subcomponents were investigated by using elemental analysis (EA), infrared analysis (FT-IR), and nuclear magnetic resonance (1H NMR and 13C NMR) through fraction separation. Compared to other low-temperature coal tar (LTCT), the content of saturates (SA) in HHCT is 95.01 wt %, considerably higher than other LTCT samples, and the content of aromatics (AR), resins (RE), and asphaltenes (AS) is all much lower than other LTCT samples. Compared with the basic properties, elemental content, and refining performance of other crude oils, HHCT is good-quality oil with relatively small density, high H/C ratio, fewer heteroatoms, and low metal impurities, and is easy to refine and process. FT-IR and NMR results show that HHCT and SA are primarily constituted of long-chain n-alkanes possessing longer aliphatic chains and fewer branched chains. Aromatics are predominantly present in AR and mainly encompass bicyclic and tricyclic aromatics. HHCT and other fractions contain a small quantity of aromatic structures.

CAS / MDL: 1344-28-1
研究领域: 能源化学 · 石油加工 · 燃料化学 · 分析化学 · 煤化工 · 有机地球化学 · 材料化学
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Coatings · 2021 ·Vol. 11 ·期 7 ·816 · IF 2.881

Fabrication and Sterilization Characteristics of Visible Light Photocatalyst of CuO/ZrO2/CB/Coal-Tar-Pitch-SAC

Ziang Xu,Guiying Xu,Beibei Han,Kun Wang,Hui Ge,Baigang An,Dongying Ju,Maorong Chai,Lixiang Li,Weimin Zhou

To provide an effective method of green aquaculture, the photocatalysts of CuO/ZrO2/CB/coal-tar-pitch-SAC, which have visible light sterilization capacity, were successfully fabricated by coating ZrO2and CuO on the surface of CB/coal-tar-pitch-SAC. The structures of synthesized CuO/ZrO2/CB/coal-tar-pitch-SAC were investigated by XRD, XPS and SEM measurements in detail. It was observed that CuO/ZrO2/CB/coal-tar-pitch-SAC materials possess obvious heterojunction structure and excellent visible light sterilization capacity when the prepared weight ratio of CuO, ZrO2and CB/coal-tar-pitch-SAC is controlled as 0.03:0.3:1. Our studies can provide a beneficial reference for the design of photocatalysts with sterilization capacity in visible light.Keywords:photocatalyst;heterojunction;coal tar pitch;green aquaculture;ZrO2

研究领域: 材料科学 · 环境科学
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JOURNAL OF HAZARDOUS MATERIALS · 2024 · IF 12.2

Synthesis of porous carbon derived from coal tar residue via bimetallic salt activation for effective and selective adsorption of thallium(I)

Gao Feiyue,Zhou Chuncai,Cao Yachuan,Yu Yue,Li Yunfei,Liu Guijian

As a highly toxic rare metal, the removal of thallium (Tl) from wastewater has been widely investigated, and adsorption is considered one of the most promising treatment technologies for Tl-containing contaminated water because of its cost-effectiveness, convenience, and high efficacy. In this work, coal tar residue (CTR)-based porous carbon was synthesized through K 2 FeO 4 activation, and applied in adsorbing Tl(I). K 2 FeO 4 could synergistically produce porosity and load iron oxide on the produced porous carbon surface because of the catalytic cracking and oxidative etching during the activation of CTR. The adsorbent was synthesized at 800 ℃ with a mass ratio of K 2 FeO 4 /CTR being 3 (PC 3–800 ) showed optimal Tl(I) adsorption performance. The removal efficiency and distribution coefficient of PC 3–800 were above 95 % and 10 4 mL/g, respectively, in a wide pH range (4−10). Furthermore, the selection and reusability of PC 3–800 were favorable. The adsorption was a spontaneous, exothermic, and entropy increase process. The adsorption process was dominated by electrostatic attraction, surface complexation, and surface oxidation . The results suggested that removing Tl(I) from contaminated water via CTR-based porous carbon was feasible.

CAS / MDL: 1415-93-6 39469-86-8
研究领域: 环境科学 · 材料科学
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FUEL · 2025 · IF 7.5

Synergistic effects of coal tar and vacuum residue in co-pyrolysis and co-hydrogenation

Xiaoning Zhang,Buning Chen,Jianwei Wang,Yusheng Zhou,Xueli Huang,He Huang

The high content of heteroatoms and trace metals makes it difficult to upgrade poor-quality oils (PQO). The co-pyrolysis or co-hydrogenation of coal tar (CT)/vacuum residue (VR) is a new approach for the efficient utilization of PQO. The products of CT/VR co-pyrolysis and co-hydrogenation were characterized by RV, TG-FTIR, and GC × GC-TOF. Co-pyrolysis reduces the reaction harshness by lowering the activation energy of pyrolysis. Co-pyrolysis changes the reaction paths of oxygen-containing free radicals by promoting the generation of oxygen-containing organic compounds and inhibiting coke generation by increasing the pyrolysis spillover of unsaturated hydrocarbons. Co-hydrogenation increased the gasoline and diesel yields while reducing coke production. The saturates, aromatics, resins, and asphaltenes of CT and VR experienced a significant increase in the gasoline and diesel fractions after hydrogenation. The gasoline and diesel content enhancement in the four-component hydrogenation products of CT increased with increasing polarity, whereas the opposite trend was observed for the four-component hydrogenation of VR. There was a clear synergistic effect between the aromatics of CT and VR in terms of hydrogenation saturation, while the synergistic effect of the aromatics was somewhat weaker. The saturates and resins had an inhibitory effect on each other.

研究领域: 能源化学 · 石油化工
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Journal of the Taiwan Institute of Chemical Engineers · 2024 · IF 5.5

Influence of MoS2 loading on the formation and hydrogenation effect of loaded monolayer molybdenum disulfide

Xiaoning Zhang,Buning Chen,Jianwei Wang,Yusheng Zhou,Xueli Huang,He Huang

Background Molybdenum disulfide is one of the main catalysts used in slurry-bed reactors. However, monolayer molybdenum disulfide with high hydrogenation activity is extremely difficult to obtain owing to the van der Waals forces between layers. Methods MoTi-X catalysts with different MoS 2 loadings were synthesized using a hydrothermal method. Changes in the active phase of MoTi-X during hydrogenation were also analyzed by TEM, XPS, and Raman spectroscopy. Significant findings MoTi-X catalysts synthesized by a two-step hydrothermal process allowed for the simultaneous generation of monolayer MoS 2 and hydrogenation. The results of the phenanthrene-phenol co-hydrogenation system showed that the different active sites on MoS 2 were responsible for its Hydrogenation and Hydrodeoxygenation properties. Using MoTi-X to catalyze coal tar (CT) hydrogenation, the total content of gasoline and diesel fractions was increased by 11.3 %, which is 3.3 times more effective than industrial four-stage hydrogenation. The average molecular mass, viscosity, and density of the coal tar were reduced by 35 %, 96 %, and 6 %, respectively. The application of MoTi-X catalysts for CT hydrogenation can fill the gap in the research on CT slurry-bed hydrogenation catalysts and improve the competitiveness of enterprises.

研究领域: 材料科学 · 化学工程
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LANGMUIR · 2024 · IF 3.7

Adsorption of Orange G on Activated Porous Carbon Derived from Coal Tar Pitch: Experimental and DFT Study

Linlin Huang,Xuwen Zhang,Tingting Liu,Lin Wang,Lixin Li,Da Li,Tao Sheng,Zilong Dong,Xinyue Zhao

A coal tar pitch-based porous carbon adsorbent (CPA) was synthesized through a straightforward method involving the heating of a mixture of KOH and coal tar pitch (CTP). This CPA exhibited a high surface area of 1811.2 m2 g–1 and a large pore volume of 0.94 cm3 g–1 when prepared with a CTP to KOH mass ratio of 1:4 at 800 °C. Parameters such as the heating temperature and activator dose were optimized to enhance the adsorption efficiency. The prepared CPA was extensively characterized by SEM, XRD, FTIR, and BET measurements. Notably, CPA presented a distinct adsorption performance for Orange G (OG), achieving a maximum adsorption capability of 449.7 mg g–1. Kinetic studies indicated that the adsorption process followed the pseudo-second-order model, while the adsorption isotherm data demonstrated that both chemical and physical interactions favored OG adsorption. Thermodynamic analysis revealed that the adsorption of OG on CPA was spontaneous and exothermic and increased the entropy. Density functional theory (DFT) calculations provided insights into the adsorption mechanism, highlighting electrostatic interactions, hydrogen bonds, and π–π interactions as the dominant processes governing OG adsorption onto the adsorbent.

CAS / MDL: 5680-61-5
研究领域: 材料科学 · 环境科学 · 化学工程
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Reaction Kinetics Mechanisms and Catalysis · 2024 ·Vol. 137 ·期 3 ·1667-1682 · IF 1.7

A preliminary study on the co-hydrogenation process of coal tar and bio-oil

Niu Menglong,Pan Liuyi,Ji Panpan,Liu Ning,Ge Yiqing,Niu Ben,Ma Baoqi

This study investigates the synergistic effect during the co-hydrogenation process of coal tar and biomass oil through experiments. By conducting hydrogenation experiments on model compounds of coal tar (naphthalene, tetrahydronaphthalene, decalin, and 9,10-phenanthrene) and waste soybean oil, it was found that partially saturated and fully saturated polycyclic aromatic hydrocarbons release active hydrogen atoms due to dehydrogenation at high temperatures. These active hydrogen atoms can promote the hydrogenation conversion of fatty acids derived from triglycerides in waste soybean oil during the co-hydrogenation process with coal tar. Through co-hydrogenation experiments of coal tar and waste soybean oil, it was discovered that when coal tar was first hydrogenated under conditions of temperature of 360 °C, pressure of 8 MPa, and LHSV (liquid hourly space velocity) of 0.4 h −1 , and then mixed with waste soybean oil (at a concentration of 30 g/100 mL) for hydrogenation under the conditions of temperature of 360 °C, pressure of 8 MPa, and LHSV of 0.4 h −1 , the deoxygenation conversion rate of fatty acids in the soybean oil is 94.5%. The hydrogenation deoxygenation conversion rate of the product in this process was 87.5% higher than that of individual fatty acids. This study indicates that the co-hydrogenation of hydrogenated coal tar and bio-oil promotes the deoxygenation conversion of bio-oil.

研究领域: 能源化学 · 环境科学
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LANGMUIR · 2020 · IF 3.557

Preparation of Porous Carbon Materials Derived from Hyper-Cross-Linked Asphalt/Coal Tar and Their High Desulfurization Performance

Tuo Di,Yunxia Xia,Baoyou Pei,Tingting Zhu,Tiansheng Zhao,Tiesheng Li,Lei Li

The development of simple and highly effective desulfurization technology is attracting more and more interest in both industrial and academic fields. Here, a new family of precursors was prepared based on hyper-cross-linked asphalt and coal tar building blocks. Thanks to the preintroduced porous structure, the precursors were converted into carbons with high surface area and large micropore volume via a uniform carbonization process. The synergistic effects of high surface area, abundant microporous structure, and the introduced polar functional groups endow the carbon materials with high desulfurization performance. The results of repeated experiments show that the adsorption capacities of five carbonized samples are higher than 40 mg S g–1, and the theoretical maximum adsorption capacity reaches 44.7 mg S g–1. Particularly, the adsorption equilibrium of all the carbonized samples can be reached in 5 min. Moreover, the recycle adsorption performance was also studied. Toluene exhibits the best elution effect among three eluents (iso-octane, para-xylene, and toluene) and the adsorption capacity remains 89% of the initial adsorption capacity after two adsorption–desorption cycles. It is believed that both innocent treatment of byproducts from petroleum industry and their high-value application for deep desulfurization in liquid hydrocarbon fuels benefit environmental protection and sustainable development.

CAS / MDL: 132-65-0 111-65-9
研究领域: 材料科学 · 环境工程
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CHEMICAL ENGINEERING SCIENCE · 2016 · IF 2.75

Pyrolysis and catalytic upgrading of low-rank coal using a NiO/MgO–Al2O3 catalyst

Yi Li,Muhammad Nadeem Amin,Xingmei Lu,Chunshan Li,Fuqiang Ren,Suojiang Zhang

The catalyst NiO/MgO–Al 2 O 3 was prepared by loading magnesium and nickel onto the surface of γ-Al 2 O 3 beads, respectively, and was adapted to in situ upgrade the high temperature pyrolysis vapor derived from coal pyrolysis. The catalyst synthesis process, and structural variation were characterized by the XRD, SEM, and physical adsorption analyzer. In order to examine the catalytic effect on the different nickel loading ratio in the catalysts, the solid–liquid–gas product distribution, variation of gas and components of coal tar were studied by simulated distillation, GC/MS, elemental analysis and so on. The results shows both the tar yield and the content of the light fraction in the tar can be increased by catalytic up grade. The catalyst has a strong ability to convert the heavy component and polycyclic aromatic hydrocarbons in the tar to lower molecular weight components.

CAS / MDL: 13478-00-7
研究领域: 化学工程 · 能源科学
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FUEL · 2022 · IF 8.035

Enhancing flotation removal of unburned carbon from fly ash by coal tar-based collector: Experiment and simulation

Kanghao Zheng,Wenjun Zhang,Yijiang Li,An Ping,Feng Wu,Guangyuan Xie,Wencheng Xia

The unburned carbon (UC) in fly ash is a vital parameter that governs the further utilization of fly ash in mortar and concrete industry. Flotation is an effective methodology for removing the UC from fly ash. However, the specific physicochemical properties of the UC particle surface make them difficult to float. In this study, a coal tar-based (CTB) collector was used to remove the UC from fly ash through flotation process. The adsorption mechanism of the CTB collector and diesel on the UC particle surface was characterized by scanning electron microscopy-energy dispersive spectrometry (SEM-EDS), fourier-transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), molecular dynamics (MD) simulation, and induction time tests. The levels of oxygen-containing functional groups and aromatic ring compounds present in the CTB collector were considerably higher than those in diesel. The oxygen-containing functional group contents on the untreated UC surface, the diesel-treated UC surface, and the CTB collector-treated UC surface decreased in that order. The MD simulation results indicated that the aromatic compounds (dibenzofuran and naphthalene, etc.) in the CTB collector interacted strongly and adsorbed at deep locations with the UC surface compared to the alkanes (dodecane, diesel, etc.). The alkanes are indispensable as the collector in the fly ash flotation process and synergize with aromatic compounds to improve the mobility of water molecules on the UC surface. The CTB collector significantly enhanced the floatability of the UC particle and hence improved the flotation removal of UC from fly ash.

CAS / MDL: 108-11-2
研究领域: 环境科学 · 材料科学
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FUEL · 2025 · IF 7.5

Catalytic ring-expansion and hydrogenation of coal tar derivatives for high-density fuel: Modifier evaluation and kinetic elucidation

Yuhang Fang,Menglong Niu,Yue Ji,Yongli Yan,Ben Niu,Xiaohua Chai,Baoqi Ma

To address the bottleneck of insufficient fuel density in Coal Tar (CT), this study proposes a molecular group-oriented ring expansion modification strategy to enhance the content of condensed polycyclic aromatic hydrocarbons (PAHs) and optimize hydrogenation processes for high-density fuel production. Three modifiers—furan (FA), maleic anhydride (MA), and NA anhydride (NA)—combined with Lewis acid catalysts (AlCl 3 , FeCl 3 , etc.) were employed to modify low- and medium-temperature CT. The modified products were characterized using GC–MS, FT-IR, Raman spectroscopy, and 13 C NMR. Fuel performance was evaluated via density, viscosity, calorific value, and hydrogenation experiments under optimized conditions with a Ni-Mo/γ-Al 2 O 3 catalyst. Post-modification, the tricyclic aromatic hydrocarbon content increased by 20 %, the condensed aromatic peak area rose by 450 %, and the graphitization degree improved by up to 120 %. MA demonstrated the best modification effect, yielding a hydrogenated product with a density of 0.9547 g/mL and a calorific value of 42.2 MJ/kg. Kinetic analysis identified AlCl 3 -catalyzed reactions at 100 °C for 24 h as optimal, involving synergistic Diels-Alder and Friedel-Crafts alkylation mechanisms. This work pioneers a molecular group-oriented ring expansion strategy for CT, overcoming the limitations of traditional hydrogenation in enhancing ring numbers and offering a novel pathway for coal-based high-density fuel development.

研究领域: 能源化学 · 催化反应工程
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ADVANCED FUNCTIONAL MATERIALS · 2024 ·Vol. 34 ·期 29 ·2400556 · IF 18.5

Pre-Oxidating and Pre-Carbonizing to Regulate the Composition and Structure of Coal Tar Pitch: The Fabrication of Porous Carbon for Supercapacitor Applications

Qian Liu,Dongling Wu,Tao Wang,Caige Wang,Dianzeng Jia

The capacitive properties of supercapacitors highly rely on the reasonable design of high-performance electrode materials. Herein, a synergetic strategy of pre-oxidation and pre-carbonization is proposed to prepare coal tar pitch (CTP) based porous carbon. The formation mechanism of porous carbon is revealed. Pre-oxidation increases the heteroatom content and promotes the decomposition of polycyclic aromatic hydrocarbons into small molecules, which is more conducive to improving the subsequent activation and enhancing the microporous specific surface area. Also, the autoclave pre-carbonization promotes the polymerization of the precursors and increases the carbon yield. Benefiting from the synergistic effect of pre-oxidation and pre-carbonation, the obtained carbon exhibits a superior specific capacitance of 365 F g −1 . Meanwhile, ZnCl 2 is used as a hydrogen-bonding acceptor to synthesize ZnCl 2 -EG/PVA deep eutectic solvent (DES) gel, and it is applicable to acidic, neutral, and alkaline electrolytes. The capacitor assembled with the prepared porous carbon and DES gel electrolyte achieves a high energy density of 41.3 Wh kg −1 and works well in unconventional temperatures (−40–75 °C). This work confirms the effect of pre-oxidation and pre-carbonization on the fabrication of CTP-based carbon material and expects to prepare porous carbon using other pre-oxidation/carbonization agents.

研究领域: 材料科学 · 能源工程
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