Structural characterization and macromolecular structure construction of non-caking coal in Chicheng Mine
Abstract Given that coal is not a homogeneous substance, it is of great significance to identify and quantify the structural characteristics thereof for comprehensive analysis. In this paper, the non-caking coal in Chicheng Coal Mine was selected as the research object. The C, H, O, N, and S content...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2023-10-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-023-44045-2 |
| _version_ | 1797452817421565952 |
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| author | Jinzhang Jia Qiang Yang Baogang Liu Dongming Wang |
| author_facet | Jinzhang Jia Qiang Yang Baogang Liu Dongming Wang |
| author_sort | Jinzhang Jia |
| collection | DOAJ |
| description | Abstract Given that coal is not a homogeneous substance, it is of great significance to identify and quantify the structural characteristics thereof for comprehensive analysis. In this paper, the non-caking coal in Chicheng Coal Mine was selected as the research object. The C, H, O, N, and S contents in the coal samples were obtained by proximate/ultimate analysis experiments. The structural characteristics of aromatic, aliphatic hydrocarbons, and oxygen-containing functional groups in the experimental coal samples were obtained by Fourier transform infrared spectroscopy (FT-IR) experiments. X-ray photoelectron spectroscopy (XPS) experiments were performed to obtain the occurrence state of N and S elements in coal samples. Nuclear magnetic resonance (13C NMR) experiments provided the carbon skeleton structural information of the coal samples. The macromolecular structure model of non-caking coal in the Chicheng Coal Mine was established on this basis. The molecular formula of non-caking coal in Chicheng Coal Mine was determined to be C207H181O32N3S.The13C NMR-predicted spectrum of the model showed good consistency with the 13C NMR-experimental spectrum obtained from the experiments, providing researchers with reference to the construction ideas and methods of molecular structure models of different coal samples. |
| first_indexed | 2024-03-09T15:14:09Z |
| format | Article |
| id | doaj.art-da21fd32f690428ba5ae9f6b0a497d40 |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2024-03-09T15:14:09Z |
| publishDate | 2023-10-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-da21fd32f690428ba5ae9f6b0a497d402023-11-26T13:12:53ZengNature PortfolioScientific Reports2045-23222023-10-0113111510.1038/s41598-023-44045-2Structural characterization and macromolecular structure construction of non-caking coal in Chicheng MineJinzhang Jia0Qiang Yang1Baogang Liu2Dongming Wang3College of Safety Science and Engineering, Liaoning Technical UniversityCollege of Safety Science and Engineering, Liaoning Technical UniversityCollege of Safety Science and Engineering, Liaoning Technical UniversityCollege of Safety Science and Engineering, Liaoning Technical UniversityAbstract Given that coal is not a homogeneous substance, it is of great significance to identify and quantify the structural characteristics thereof for comprehensive analysis. In this paper, the non-caking coal in Chicheng Coal Mine was selected as the research object. The C, H, O, N, and S contents in the coal samples were obtained by proximate/ultimate analysis experiments. The structural characteristics of aromatic, aliphatic hydrocarbons, and oxygen-containing functional groups in the experimental coal samples were obtained by Fourier transform infrared spectroscopy (FT-IR) experiments. X-ray photoelectron spectroscopy (XPS) experiments were performed to obtain the occurrence state of N and S elements in coal samples. Nuclear magnetic resonance (13C NMR) experiments provided the carbon skeleton structural information of the coal samples. The macromolecular structure model of non-caking coal in the Chicheng Coal Mine was established on this basis. The molecular formula of non-caking coal in Chicheng Coal Mine was determined to be C207H181O32N3S.The13C NMR-predicted spectrum of the model showed good consistency with the 13C NMR-experimental spectrum obtained from the experiments, providing researchers with reference to the construction ideas and methods of molecular structure models of different coal samples.https://doi.org/10.1038/s41598-023-44045-2 |
| spellingShingle | Jinzhang Jia Qiang Yang Baogang Liu Dongming Wang Structural characterization and macromolecular structure construction of non-caking coal in Chicheng Mine Scientific Reports |
| title | Structural characterization and macromolecular structure construction of non-caking coal in Chicheng Mine |
| title_full | Structural characterization and macromolecular structure construction of non-caking coal in Chicheng Mine |
| title_fullStr | Structural characterization and macromolecular structure construction of non-caking coal in Chicheng Mine |
| title_full_unstemmed | Structural characterization and macromolecular structure construction of non-caking coal in Chicheng Mine |
| title_short | Structural characterization and macromolecular structure construction of non-caking coal in Chicheng Mine |
| title_sort | structural characterization and macromolecular structure construction of non caking coal in chicheng mine |
| url | https://doi.org/10.1038/s41598-023-44045-2 |
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