Cancellation of dipole moment of models of asphaltene aggregates as a mean for their dispersion in toluene and THF calculated using molecular dynamics - Archive ouverte HAL Access content directly
Journal Articles Fuel Year : 2022

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

(1) , (1) , (1) , (2) , (2) , (1)
1
2

Abstract

The study of the behavior of asphaltenes in solution has focused on their tendency to form aggregates and less importance has been given to describing and understanding what allows the formation of asphaltene aggregates that remain stably dispersed. Using molecular dynamics simulations, we calculated that the dipole moment of models for asphaltene aggregate tends to zero when the number of molecules in the aggregate tends to large values. In other words, such dipole moment cancellation would be an important contributor to the dispersion of these aggregates.
Fichier principal
Vignette du fichier
Villegaz et al.pdf (1.97 Mo) Télécharger le fichier
Origin : Files produced by the author(s)

Dates and versions

hal-03872557 , version 1 (25-11-2022)

Identifiers

Cite

Orlando Villegas, Germain Salvato Vallverdu, Brice Bouyssière, Socrates Acevedo, Jimmy Castillo, et al.. Cancellation of dipole moment of models of asphaltene aggregates as a mean for their dispersion in toluene and THF calculated using molecular dynamics. Fuel, 2022, 334, pp.126472. ⟨10.1016/j.fuel.2022.126472⟩. ⟨hal-03872557⟩
0 View
0 Download

Altmetric

Share

Gmail Facebook Twitter LinkedIn More