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Dynamic Simulation Based on a Simplified Model of 1/3 Coking Coal Molecule and Its Formation Characteristics of Hydration Films

[Image: see text] To comprehensively elaborate the formation characteristics of hydration films on 1/3 coking coal molecule, this paper reports the construction of a realistic simplified model for calculations of electrostatic potentials on the coal molecular surface to foresee the major immersion l...

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Detalles Bibliográficos
Autores principales:	Zhu, Hongqing, Zhang, Yilong, Hu, Lintao, Liao, Qi, Fang, Shuhao, Gao, Rongxiang
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8674907/ https://www.ncbi.nlm.nih.gov/pubmed/34926885 http://dx.doi.org/10.1021/acsomega.1c03345

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