Molecular Dynamics Simulation and Gas Generation Tracking of Pyrolysis of Bituminous Coal

[Image: see text] To study the generation rules of organic molecules or fragments and the generation paths of some hydrocarbon gases (C(2)H(2)/C(2)H(4)) and inorganic gases (CO(2)/H(2)O/H(2)/H(2)S) in the pyrolysis process of bituminous coal at 1000–5000 K, the ReaxFF molecular dynamics module in AM...

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Detalles Bibliográficos
Autores principales: Zhang, Jing, Wang, Jiren, Li, Zongxiang, Zhu, Jinchao, Lu, Bing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8992257/
https://www.ncbi.nlm.nih.gov/pubmed/35415362
http://dx.doi.org/10.1021/acsomega.2c00010

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8992257/
https://www.ncbi.nlm.nih.gov/pubmed/35415362
http://dx.doi.org/10.1021/acsomega.2c00010

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