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Molecular structure characterization analysis and molecular model construction of anthracite
Coal is the largest non-renewable energy as well as an important basic energy and industrial raw material. Thus, correctly understanding the molecular structure characteristics of coal has important theoretical value for realizing carbon neutralization. In this work, we clarified the molecular struc...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Public Library of Science
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9703969/ https://www.ncbi.nlm.nih.gov/pubmed/36170645 http://dx.doi.org/10.1371/journal.pone.0275108 |
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author | Jia, Jinzhang Wu, Yumo Zhao, Dan Li, Bin Wang, Dongming Wang, Fengxiao Chen, Yinuo |
author_facet | Jia, Jinzhang Wu, Yumo Zhao, Dan Li, Bin Wang, Dongming Wang, Fengxiao Chen, Yinuo |
author_sort | Jia, Jinzhang |
collection | PubMed |
description | Coal is the largest non-renewable energy as well as an important basic energy and industrial raw material. Thus, correctly understanding the molecular structure characteristics of coal has important theoretical value for realizing carbon neutralization. In this work, we clarified the molecular structure characteristics of anthracite, where the organic matter in anthracite was characterized and analyzed by industrial/elemental analysis, FTIR, XPS, XRD and solid (13)C NMR. The ratio of bridge carbon to the perimeter carbon of anthracite was 0.38, and the degree of condensation in the aromatic structure was high. Nitrogen in coal primarily exists in the form of pyridine and pyrrole. Based on the information on functional group composition, the carbon skeleton structure, and surface element composition, a molecular structure model of Yangquan anthracite could be constructed, where the molecular formula was C(208)H(162)O(12)N(4). This study may serve as a reference for researchers in this field to consult and refer to the construction ideas and methods of molecular structure models of different coal samples. |
format | Online Article Text |
id | pubmed-9703969 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | Public Library of Science |
record_format | MEDLINE/PubMed |
spelling | pubmed-97039692022-11-29 Molecular structure characterization analysis and molecular model construction of anthracite Jia, Jinzhang Wu, Yumo Zhao, Dan Li, Bin Wang, Dongming Wang, Fengxiao Chen, Yinuo PLoS One Research Article Coal is the largest non-renewable energy as well as an important basic energy and industrial raw material. Thus, correctly understanding the molecular structure characteristics of coal has important theoretical value for realizing carbon neutralization. In this work, we clarified the molecular structure characteristics of anthracite, where the organic matter in anthracite was characterized and analyzed by industrial/elemental analysis, FTIR, XPS, XRD and solid (13)C NMR. The ratio of bridge carbon to the perimeter carbon of anthracite was 0.38, and the degree of condensation in the aromatic structure was high. Nitrogen in coal primarily exists in the form of pyridine and pyrrole. Based on the information on functional group composition, the carbon skeleton structure, and surface element composition, a molecular structure model of Yangquan anthracite could be constructed, where the molecular formula was C(208)H(162)O(12)N(4). This study may serve as a reference for researchers in this field to consult and refer to the construction ideas and methods of molecular structure models of different coal samples. Public Library of Science 2022-09-28 /pmc/articles/PMC9703969/ /pubmed/36170645 http://dx.doi.org/10.1371/journal.pone.0275108 Text en © 2022 Jia et al https://creativecommons.org/licenses/by/4.0/This is an open access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/) , which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. |
spellingShingle | Research Article Jia, Jinzhang Wu, Yumo Zhao, Dan Li, Bin Wang, Dongming Wang, Fengxiao Chen, Yinuo Molecular structure characterization analysis and molecular model construction of anthracite |
title | Molecular structure characterization analysis and molecular model
construction of anthracite |
title_full | Molecular structure characterization analysis and molecular model
construction of anthracite |
title_fullStr | Molecular structure characterization analysis and molecular model
construction of anthracite |
title_full_unstemmed | Molecular structure characterization analysis and molecular model
construction of anthracite |
title_short | Molecular structure characterization analysis and molecular model
construction of anthracite |
title_sort | molecular structure characterization analysis and molecular model
construction of anthracite |
topic | Research Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9703969/ https://www.ncbi.nlm.nih.gov/pubmed/36170645 http://dx.doi.org/10.1371/journal.pone.0275108 |
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