Prediction of coal liquefaction reactivity by solid state 13C NMR spectral data

Yoshida, Tadashi; Sasaki, Masahide; Ito, Koichi; Mochizuki, Michiharu; Nogami, Yasuyuki; Inokuchi, Kenji

doi:10.1016/s0016-2361(02)00075-3

Cited by 50 publications

(10 citation statements)

References 13 publications

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“…XL lignite mainly consisted of two peak clusters, which were separated into aliphatic zone (0–91 ppm) and aromatic zone (101–165 ppm). The peaks at around 205 ppm were overlapped by the spinning side bond and the chemical bonds could not be identified. , …”

Section: Resultsmentioning

confidence: 98%

Comparative Study of the Catalytic Performances of Na₂CO₃ and γ-FeOOH in Hydroliquefaction To Propose a Two-Stage Lignite Catalytic Liquefaction Process

Zhao

Huang

et al. 2019

Energy Fuels

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High oxygen content in lignite increases hydrogen consumption during hydroliquefaction, and simultaneously the produced water decreases hydrogen partial pressure, which negatively affects lignite liquefaction behaviors. Therefore, the liquefaction performances and oxygen-removal behaviors of Xilinhaote (XL) lignite during liquefaction at different temperatures in the presence of Na 2 CO 3 (NC) and FeOOH (FO) were investigated. Results showed that the oxygen contents of liquefaction residues (LRs) obtained at 330−380 °C were 9.37−13.84% without catalyst and decreased to 7.90−13.02% and 6.38−11.73% with the addition of FO and NC, respectively. The addition of NC could promote the polarized breakdown of aromatic C aryl − C alkyl ether bonds via ionic pathways in the presence of water, which facilitated the depolymerization of lignite macromolecular structures, resulting in significant increase in coal conversions at 330−380 °C. To enhance liquefaction performance, an optimized two-stage catalytic liquefaction process for lignite with high oxygen content was proposed, which integrated the deoxygenation treatment of lignite over Na 2 CO 3 and the hydrogenation of Na 2 CO 3 -treated lignite over iron catalyst. In the twostage catalytic liquefaction processes, coal conversions and oil yields significantly increased to 90.66−92.73% and 52.73− 57.56%, respectively, compared to 84.61% and 43.52% in single-stage liquefaction of XL over FO at 450 °C. Furthermore, in the two-stage catalytic liquefaction process, the treatment of XL over NC in stage I presented higher coal conversion (92.73%) and oil yield (57.56%) than those over FO in stage I (90.66% and 52.73%). Surprisingly, H 2 consumption of the former (2.17%) was lower than that of the latter (2.91%).

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Section: Resultsmentioning

confidence: 98%

Comparative Study of the Catalytic Performances of Na₂CO₃ and γ-FeOOH in Hydroliquefaction To Propose a Two-Stage Lignite Catalytic Liquefaction Process

Zhao

Huang

et al. 2019

Energy Fuels

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“…Table presents the chemical shifts of different carbon‐bearing functional groups in Wangqing oil shale. According to the results presented in Table and those reported in some previous studies, the 13 C‐NMR spectral curves of the samples were fitted to determine the relative proportions of different types of carbons in Wangqing oil shale. The fitting results are shown in Figure .…”

Section: Resultsmentioning

confidence: 99%

Structure of Wangqing oil shale and mechanism of carbon monoxide release during its pyrolysis

Wang

Hua

Guan

2019

Energy Science & Engineering

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In this work, the structural characteristics of Wangqing oil shale were investigated using 13C nuclear magnetic resonance spectroscopy (NMR) and Fourier‐transform infrared spectroscopy (FTIR) techniques. The thermogravimetric‐Fourier‐transform infrared spectroscopy (TG‐FTIR) was used to pyrolyze samples and study their kinetics at four different heating rates. Meanwhile, the peak fitting method was used to study the carbon monoxide (CO) produced during the pyrolysis process. The results indicated that the oil shale was mainly composed of aromatic, aliphatic, hydroxyl, and oxygen‐containing functional groups, among which the aliphatic group was the most abundant. The pyrolysis process of oil shale was divided into four stages, whereas the pyrolysis weight loss and volatilization were concentrated in the second stage. When the number of peaks was 4, the fitting results were the best, which indicated that the precipitation of CO gas was affected by the four different types of reactions and was mainly the result of oxygen group and its side chain fracture.

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“…Solid‐state 13 C NMR has been applied to numerous types of natural IOM such as coals (Yoshida et al. ; Erdenetsogt et al. ) and oil shales (Miknis et al.…”

Section: Resultsmentioning

confidence: 99%

Toward an experimental synthesis of the chondritic insoluble organic matter

Biron

Derenne

Robert

et al. 2015

Meteorit & Planetary Scien

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International audienceBased on the statistical model proposed for the molecular structure of the insoluble organic matter (IOM) isolated from the Murchison meteorite, it was recently proposed that, in the solar T-Tauri disk regions where (photo)dissociation of gaseous molecules takes place, aromatics result from the cyclization/aromatization of short aliphatics. This hypothesis is tested in this study, with n-alkanes being submitted to high-frequency discharge at low pressure. The contamination issue was eliminated using deuterated precursor. IOM was formed and studied using solid-state nuclear magnetic resonance, pyrolysis coupled to gas chromatography and mass spectrometry, RuO4 oxidation, and high-resolution transmission electron microscopy. It exhibits numerous similarities at the molecular level with the hydrocarbon backbone of the natural IOM, reinforcing the idea that the initial precursors of the IOM were originally chains in the gas. Moreover, a fine comparison between the chemical structure of several meteorite IOM suggests either that (i) the meteorite IOMs share a common precursor standing for the synthetic IOM or that (ii) the slight differences between the meteorite IOMs reflect differences in their environment at the time of their formation i.e., related to plasma temperature that, in turn, dictates the dissociation–recombination rates of organic fragments

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Prediction of coal liquefaction reactivity by solid state 13C NMR spectral data

Cited by 50 publications

References 13 publications

Comparative Study of the Catalytic Performances of Na₂CO₃ and γ-FeOOH in Hydroliquefaction To Propose a Two-Stage Lignite Catalytic Liquefaction Process

Comparative Study of the Catalytic Performances of Na₂CO₃ and γ-FeOOH in Hydroliquefaction To Propose a Two-Stage Lignite Catalytic Liquefaction Process

Structure of Wangqing oil shale and mechanism of carbon monoxide release during its pyrolysis

Toward an experimental synthesis of the chondritic insoluble organic matter

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Prediction of coal liquefaction reactivity by solid state 13C NMR spectral data

Cited by 50 publications

References 13 publications

Comparative Study of the Catalytic Performances of Na2CO3 and γ-FeOOH in Hydroliquefaction To Propose a Two-Stage Lignite Catalytic Liquefaction Process

Comparative Study of the Catalytic Performances of Na2CO3 and γ-FeOOH in Hydroliquefaction To Propose a Two-Stage Lignite Catalytic Liquefaction Process

Structure of Wangqing oil shale and mechanism of carbon monoxide release during its pyrolysis

Toward an experimental synthesis of the chondritic insoluble organic matter

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Comparative Study of the Catalytic Performances of Na₂CO₃ and γ-FeOOH in Hydroliquefaction To Propose a Two-Stage Lignite Catalytic Liquefaction Process

Comparative Study of the Catalytic Performances of Na₂CO₃ and γ-FeOOH in Hydroliquefaction To Propose a Two-Stage Lignite Catalytic Liquefaction Process