Molecular dynamics simulations of the self-organization of side-chain decorated polyaromatic conjugation molecules: phase separated lamellar and columnar structures and dispersion behaviors in toluene solvent

The self-organization of five model side-chain decorated polyaromatic asphaltene molecules with or without toluene solvent was investigated by means of atomistic molecular dynamic (MD) simulations. It was found that the organizational structure of polycyclic asphaltene molecules is significantly aff...

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Detalles Bibliográficos
Autores principales: He, Lanyan, Wang, Pingmei, He, Lipeng, Qu, Zhou, Luo, Jianhui, Peng, Baoliang, Tang, Xianqiong, Pei, Yong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9078946/
https://www.ncbi.nlm.nih.gov/pubmed/35541563
http://dx.doi.org/10.1039/c7ra13101a

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9078946/
https://www.ncbi.nlm.nih.gov/pubmed/35541563
http://dx.doi.org/10.1039/c7ra13101a

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