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Toward Predictive Molecular Dynamics Simulations of Asphaltenes in Toluene and Heptane
[Image: see text] The conventional definition of asphaltenes is based on their solubility in toluene and their insolubility in heptane. We have utilized this definition to study the influence of partial charge parametrization on the aggregation behavior of asphaltenes using classical atomistic molec...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6882142/ https://www.ncbi.nlm.nih.gov/pubmed/31788635 http://dx.doi.org/10.1021/acsomega.9b02992 |