Molecular structure characterization of middle-high rank coal via XRD, Raman and FTIR spectroscopy: Implications for coalification

Jiang, Jingyu; Yang, Weiben; Wang, Chenghao; Liu, Zhengdong; Zhang, Qiang; Zhao, Ke

doi:10.1016/j.fuel.2018.11.057

Cited by 326 publications

(143 citation statements)

References 67 publications

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“…Comparing BADGE/PPy and MIP, in‐plane deformation band of aromatics and C−H in‐plane vibration of pyrrole is located at 950 cm −1 and 984 cm −1 , which reduced obviously in MIP for the removal of BADGE . The characteristic peaks of 1226, 1332 and 1379 cm −1 can be attributed to the polypyrrole ring doping state vibration, C−N stretching vibration and =C−N in‐plane vibration, respectively . What's more, the disappearance of peaks at 856 cm −1 and 1181 cm −1 after the removal of BADGE is attributed to the C−O−C asymmetric stretching modes in epoxy group and C−O stretching vibration in phenolic ether, respectively .…”

Section: Resultsmentioning

confidence: 92%

An Electropolymerized Molecularly Imprinted Electrochemical Sensor for the Selective Determination of Bisphenol A Diglycidyl Ether

Zeng

et al. 2020

ChemistrySelect

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In this manuscript, a sensitive and selective molecular imprinted electrochemical sensor for the detection of bisphenol A diglycidyl ether (BADGE) in canned oil was developed. Using BADGE as template, pyrrole as functional monomer, after electropolymerization and elution processes, the molecular imprinted film for the special recognition of BADGE was prepared on the surface of platinum disk electrode. Every step in the experiment was verified by field emission scanning electron microscope (SEM), microscopic fourier transform infrared spectroscopy (Micro‐FTIR), cyclic voltammetry (CV) and differential pulse voltammetry (DPV). The experimental parameters in the assay were optimized, and the linear range of the MIP sensor was 0.05 μmol dm−3 to 10 μmol dm−3 with the detection limit of 0.04 μmol dm−3 based on S/N=3. The sensor was applied to edible oil samples for detection with a good accuracy, which could be used as a new strategy for sensitive, rapid, simple and cost‐effective screening of BADGE.

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Section: Resultsmentioning

confidence: 92%

An Electropolymerized Molecularly Imprinted Electrochemical Sensor for the Selective Determination of Bisphenol A Diglycidyl Ether

Zeng

et al. 2020

ChemistrySelect

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“…This would aid in predicting the behavior of coal subsequently during the pyrolysis, liquefaction, and gasification processes (Sun et al 2004;Safarova et al 2005Wang et al 2013a. Intensive research on the structure of coal has been undertaken using X-ray diffraction (XRD) (Sonibare et al 2010;Wu et al 2013;Yan et al 2020), Fourier transform infrared spectroscopy (FTIR) (Ibarra et al 1996;Wang et al 2013a, b;Wu et al 2013Wu et al , 2014Jiang et al 2019), and Raman spectroscopy (Jiang et al 2019;Liu et al 2014). XRD spectroscopy is commonly used to study the crystal structure of carbonaceous materials.…”

Section: Introductionmentioning

confidence: 99%

“…FTIR is very useful in probing the functional groups in coal and thus widely used for studying the chemical structure of coal. Combined with curve-fitting analysis (Ibarra et al 1996;Wang et al 2011Wang et al , 2013aWu et al 2013;Jiang et al 2019), these methods can provide additional insight into the structure of coal and their structural parameters can be quantitatively analyzed. To better understand the carbon skeleton structure of coal, solid 13 C nuclear magnetic resonance ( 13 C-NMR) spectroscopy (Wei et al 2005;Erdenetsogt et al 2010;Xiang et al 2013;Yan et al 2014) has been used to determine the chemical structure, which could be used to quantitatively characterize different existing types of carbon in coal.…”

Section: Introductionmentioning

confidence: 99%

Effect of hydrothermal treatment on the carbon structure of Inner Mongolia lignite

Liu

Zhang

2020

Int J Coal Sci Technol

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Understanding the structural properties of lignite during hydrothermal treatment would aid in predicting the subsequent behavior of coal during the pyrolysis, liquefaction, and gasification processes. Here, hydrothermal treatment of Inner Mongolia lignite (IM) was carried out in a lab autoclave. The distribution of carbon in the lignite was monitored via solid 13C nuclear magnetic resonance spectroscopy, and the functional groups of oxygen in lignite were determined by Fourier transform infrared spectroscopy. The curve-fitting method was used to calculate the content of the functional groups quantitatively. The results show that hydrothermal treatment is an effective method for upgrading the lignite. The side chains of the aromatic ring in lignite are altered, while the main macromolecular structure remains nearly the same. The hydrothermal treatment of IM could be divided into three temperature-dependent stages. The first stage (< 493 K) is the decomposition reaction of oxygen functional groups, where the O/C ratio decreases from 0.203 in raw IM to 0.185 for the IM treated at 493 K. In the second stage (493–533 K), hydrolysis of functional groups and hydrogen transfer between water and lignite occur. Here, the ratio of methylene to methyl increases from 0.871 in IM-493 to 1.241 for IM-533, and the content of quinone generates from the condensation of free phenol increased. The third stage (> 533 K) involves breakage of the covalent bond, and the content of CH4 and CO in the emission gas clearly increase.

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“… 28 , 29 The coal molecular structures in middle–high rank coals were characterized using the FTIR data, which indicates that the aliphatic chain length of the aromatic rings shortens along with the coalification process. 30 It has also been shown that the lower-rank coals should have a more oxygen chemical structure and longer aliphatic chains. Along with the increasing rank, the oxygen functional group contents decrease rapidly.…”

Section: Introductionmentioning

confidence: 99%

Hydrocarbon Generation and Chemical Structure Evolution from Confined Pyrolysis of Bituminous Coal

Zhu

et al. 2020

ACS Omega

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The molecular composition of organic matter formed during pyrolysis is complex. Fourier transform infrared spectroscopy (FTIR) is a good technique to investigate the coal chemical structural evolution. However, reports on the effects of chemical structure on the n -alkane yields and their relative functional groups are scarce in the literature. In our case, the chemical structural evolution process of bituminous coal obtained by pyrolysis at two different heating rates has been analyzed by pyrolysis-gas chromatography (Py-GC) and FTIR. Furthermore, some of the small molecular compounds (e.g., n -alkanes 24 can generate n -alkanes 20 or low-weight compounds) generated by gold-tube pyrolysis were identified using other GC techniques. Biomarkers were analyzed and compared to generated n -alkanes from the gold-tube pyrolysis experiments. We present the results of the relationship between the FTIR parameters and the molecular compositions that were analyzed. A good linear relationship can be seen between the FTIR parameters (C=O, C=C, and C -factor values), the carbon preference index (CPI), and the ratio of the pristane content and n -C 17 alkane content (Pr/ n -C 17 ). Furthermore, the n -alkane fraction of the pyrolysates, in particular pristane, phytane, n -C 17 alkane, and n -C 18 alkane, changed upon maturation. Our conclusions indicate that FTIR is applicable as a structural and chemical change probe to explore the pyrolysis process.

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Molecular structure characterization of middle-high rank coal via XRD, Raman and FTIR spectroscopy: Implications for coalification

Cited by 326 publications

References 67 publications

An Electropolymerized Molecularly Imprinted Electrochemical Sensor for the Selective Determination of Bisphenol A Diglycidyl Ether

An Electropolymerized Molecularly Imprinted Electrochemical Sensor for the Selective Determination of Bisphenol A Diglycidyl Ether

Effect of hydrothermal treatment on the carbon structure of Inner Mongolia lignite

Hydrocarbon Generation and Chemical Structure Evolution from Confined Pyrolysis of Bituminous Coal

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