Cancellation of dipole moment of models of asphaltene aggregates as a mean for their dispersion in toluene and THF calculated using molecular dynamics

نویسندگان

چکیده

The study of the behavior asphaltenes in solution has focused on their tendency to form aggregates and less importance been given describing understanding what allows formation asphaltene that remain stably dispersed. Using molecular dynamics simulations, we calculated dipole moment models for aggregate tends zero when number molecules large values. In other words, such cancellation would be an important contributor dispersion these aggregates.

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ژورنال

عنوان ژورنال: Fuel

سال: 2023

ISSN: ['0016-2361', '1873-7153']

DOI: https://doi.org/10.1016/j.fuel.2022.126472