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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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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 |