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The Effect Mechanism of Fe on Coal Pyrolysis to NO(x) Precursors: Quantum Chemical Calculations and Mass Spectrometry Experiments

[Image: see text] Density functional theory is adopted to thoroughly analyze the influence mechanism of Fe on the formation of NH(3) and HCN. The structure of Fe adsorbed on the surface of seven-membered zigzag coal containing pyridine nitrogen is selected as the Fe-containing coal model. The effect...

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Detalles Bibliográficos
Autores principales:	Chen, Ping, Wang, Dongfang, Gu, Mingyan, Chen, Guang, Huang, Xiangyong, Lin, Yuyu
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7495788/ https://www.ncbi.nlm.nih.gov/pubmed/32954175 http://dx.doi.org/10.1021/acsomega.0c02994

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