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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...
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| Publicado no: | ACS Omega |
|---|---|
| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2019
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6882142/ https://ncbi.nlm.nih.gov/pubmed/31788635 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.9b02992 |
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