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Modeling Alkyl Aromatic Hydrocarbons with Dissipative Particle Dynamics

[Image: see text] Building on previous work studying alkanes, we develop a dissipative particle dynamics (DPD) model to capture the behavior of the alkyl aromatic hydrocarbon family under ambient conditions of 298 K and 1 atmosphere. Such materials are of significant worldwide industrial importance...

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Detalles Bibliográficos
Autores principales: Bray, David J., Anderson, Richard L., Warren, Patrick B., Lewtas, Kenneth
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9310027/
https://www.ncbi.nlm.nih.gov/pubmed/35797469
http://dx.doi.org/10.1021/acs.jpcb.2c02048