Mechanistic insights into the evolution of microscopic molecular structures of bituminous coal and lignite during carbonization: a ReaxFF molecular dynamics study.
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| Title: | Mechanistic insights into the evolution of microscopic molecular structures of bituminous coal and lignite during carbonization: a ReaxFF molecular dynamics study. |
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| Authors: | Li K; School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Haidian District, 30 Xueyuan Rd., Beijing, 100083, People's Republic of China., He X; School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Haidian District, 30 Xueyuan Rd., Beijing, 100083, People's Republic of China., Zhang J; School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Haidian District, 30 Xueyuan Rd., Beijing, 100083, People's Republic of China. zhang.jianliang@hotmail.com.; School of Chemical Engineering, The University of Queensland, St Lucia, QLD, 4072, Australia. zhang.jianliang@hotmail.com., Jiang C; Technical Support Center for Prevention and Control of Disastrous Accidents in Metal Smelting, University of Science and Technology Beijing, Haidian District, 30 Xueyuan Rd., Beijing, 100083, People's Republic of China. jiangchunhe@ustb.edu.cn., Ren S; School of Energy and Power Engineering, Multiphase Flow in Power Engineering, Xi'an Jiaotong University, Xi'an, 710049, Shaanxi, People's Republic of China., Sun Z; School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Haidian District, 30 Xueyuan Rd., Beijing, 100083, People's Republic of China., Zou Q; School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Haidian District, 30 Xueyuan Rd., Beijing, 100083, People's Republic of China. |
| Source: | Journal of molecular modeling [J Mol Model] 2025 Aug 01; Vol. 31 (8), pp. 227. Date of Electronic Publication: 2025 Aug 01. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Electronic Cited Medium: Internet ISSN: 0948-5023 (Electronic) Linking ISSN: 09485023 NLM ISO Abbreviation: J Mol Model Subsets: MEDLINE; PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
| FullText | Text: Availability: 0 |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 40748392 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Mechanistic insights into the evolution of microscopic molecular structures of bituminous coal and lignite during carbonization: a ReaxFF molecular dynamics study. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Li+K%22">Li K</searchLink>; School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Haidian District, 30 Xueyuan Rd., Beijing, 100083, People's Republic of China.<br /><searchLink fieldCode="AU" term="%22He+X%22">He X</searchLink>; School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Haidian District, 30 Xueyuan Rd., Beijing, 100083, People's Republic of China.<br /><searchLink fieldCode="AU" term="%22Zhang+J%22">Zhang J</searchLink>; School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Haidian District, 30 Xueyuan Rd., Beijing, 100083, People's Republic of China. zhang.jianliang@hotmail.com.; School of Chemical Engineering, The University of Queensland, St Lucia, QLD, 4072, Australia. zhang.jianliang@hotmail.com.<br /><searchLink fieldCode="AU" term="%22Jiang+C%22">Jiang C</searchLink>; Technical Support Center for Prevention and Control of Disastrous Accidents in Metal Smelting, University of Science and Technology Beijing, Haidian District, 30 Xueyuan Rd., Beijing, 100083, People's Republic of China. jiangchunhe@ustb.edu.cn.<br /><searchLink fieldCode="AU" term="%22Ren+S%22">Ren S</searchLink>; School of Energy and Power Engineering, Multiphase Flow in Power Engineering, Xi'an Jiaotong University, Xi'an, 710049, Shaanxi, People's Republic of China.<br /><searchLink fieldCode="AU" term="%22Sun+Z%22">Sun Z</searchLink>; School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Haidian District, 30 Xueyuan Rd., Beijing, 100083, People's Republic of China.<br /><searchLink fieldCode="AU" term="%22Zou+Q%22">Zou Q</searchLink>; School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Haidian District, 30 Xueyuan Rd., Beijing, 100083, People's Republic of China. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%229806569%22">Journal of molecular modeling</searchLink> [J Mol Model] 2025 Aug 01; Vol. 31 (8), pp. 227. <i>Date of Electronic Publication: </i>2025 Aug 01. – Name: TypePub Label: Publication Type Group: TypPub Data: Journal Article – Name: TitleSource Label: Journal Info Group: Src Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Springer%22">Springer </searchLink><i>Country of Publication: </i>Germany <i>NLM ID: </i>9806569 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>0948-5023 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2209485023%22">09485023 </searchLink><i>NLM ISO Abbreviation: </i>J Mol Model <i>Subsets: </i>MEDLINE; PubMed not MEDLINE |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=40748392 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1007/s00894-025-06438-0 Languages: – Code: eng Text: English PhysicalDescription: Pagination: StartPage: 227 Titles: – TitleFull: Mechanistic insights into the evolution of microscopic molecular structures of bituminous coal and lignite during carbonization: a ReaxFF molecular dynamics study. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Li K – PersonEntity: Name: NameFull: He X – PersonEntity: Name: NameFull: Zhang J – PersonEntity: Name: NameFull: Jiang C – PersonEntity: Name: NameFull: Ren S – PersonEntity: Name: NameFull: Sun Z – PersonEntity: Name: NameFull: Zou Q IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 08 Text: 2025 Aug 01 Type: published Y: 2025 Identifiers: – Type: issn-electronic Value: 0948-5023 Numbering: – Type: volume Value: 31 – Type: issue Value: 8 Titles: – TitleFull: Journal of molecular modeling Type: main |
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