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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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JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS · 2016 · IF 3.652

Evolution properties of cellulose- and lignin-derived pyrolysis tars after interacting with coal chars

Zhen-Yi Du,Xia Wang,Zhi-Hua Zhang,Jie Feng,Yu-Hong Qin,Bin-Bin Zhang,Wen-Ying Li

The reforming characteristics of biomass volatiles on anthracite chars were investigated by comparing the structural evolution of tars derived from cellulose and lignin as the major biomass components. In a two-stage quartz reactor, the pyrolysis volatiles of cellulose and lignin were produced in the first stage and then reformed in the second stage with or without the presence of anthracite chars between 600 and 900   °C. The results show that the presence of anthracite chars enhanced the destruction of volatiles of both feedstocks. Furthermore, the tar yields of lignin showed a slower decreasing trend with temperature than those of cellulose, suggesting that the lignin volatiles were more refractory to be reformed. The lignin tars had higher molecular weights and contained higher percentage of compounds with large aromatic ring systems (≥3 fused benzene rings) than cellulose tars in the studied temperature range. Compositional analysis revealed that tars of both feedstocks experienced the transition from phenolic compounds to polycyclic aromatic hydrocarbons with increasing temperature. The surface areas of anthracite chars were reduced because of coke deposition after interacting with the volatiles of both feedstocks below 800   °C, above which the net gasification of chars took place.

CAS / MDL: 9004-34-6
研究领域: 能源科学 · 化学工程
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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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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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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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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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JOURNAL OF ELECTROANALYTICAL CHEMISTRY · 2022 · IF 4.598

Low-cost carbon derived from coal-coke for high-performance supercapacitors

Yifan Gao,Yanmei Zhang,Haili Huang,Chengwei Deng,Yuanhui Cheng

Converting coal-coke into high-value carbon materials is an effective avenue to realize resource high-value utilization. Here, we employ a two-step method to convert coal-coke into capacitive carbon. Coal-coke is first pretreated with mixed acid of hydrochloric acid and nitric acid and then chemically activated by potassium hydroxide at a high temperature. Prepared coal-carbon has a high specific surface area of 1633 m 2 /g and plenty of oxygen and nitrogen dopants, which are beneficial for electric double-layer and Faradic processes, respectively. Coal-carbon exhibits a high specific capacitance of 237 F/g, twice as high as commercial active carbons. Moreover, it delivers a capacitive retention rate of 92 % after running 3000 cycles. This good electrochemical performance suggests that coal-coke-derived porous carbon can replace commercial active carbons as a low-cost candidate for supercapacitors. This work proposes a feasible way to utilize coal-coke with high value and provide low-cost materials to supercapacitors.

研究领域: 材料科学 · 能源存储
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Catalysts · 2020 ·Vol. 10 ·期 6 ·715 · IF 3.52

Kinetics and Mechanisms of Metal Chlorides Catalysis for Coal Char Gasification with CO2

Yong He,Ye Yuan,Zhihua Wang,Longlong Liu,Jiaxin Tan,Jiahao Chen,Kefa Cen

The gasification experiments of coal chars with CO2were carried out isothermally, with K, Ca, Ni, and Zn chloride catalysts, adopting a thermal gravimetric analyzer (TGA) from 800 to 1100 °C. The kinetic characteristic of the samples were described using the volumetric model (VM), the grain model (GM), and the random pore model (PRM). The morphology patterns of the samples were tested applying X-ray diffraction (XRD) and the catalytic mechanisms concerning the phase changes were proposed. The results confirm that the gasification rate and char reactivities are enhanced by K, Ca and Ni chlorides, while ZnCl2inhibited the process. The catalysis ability shows the following cation order: Ca > K > Ni > Zn. Among the models described above, PRM was proven to give the best fitting value and hence adopted to kinetics parameters calculation. The activation energies in promoting conditions were lower than that of the uncatalyzed cases. In view of the catalytic mechanism, the K metals tend to form intermediate complexes and repeatedly connect with coal char, while the Ca species may follow the oxidation-reduction mechanism and the Ni metals catalyze the gasification process.Keywords:char gasification;catalytic kinetics;catalytic mechanisms;metal chlorides

研究领域: 化学工程 · 能源科学
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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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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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