A Mesoscopic Model for an Asphaltene and Complex Mixtures of Asphaltenes

摘要

A representation for an asphaltene system and asphaltene mixtures is proposed based on experimental data reported by Socrates et al. These were modeled at the mesoscopic level by applying dissipative particle dynamics (DPD), where DPD beads correspond to the main structure that constitutes the real asphaltene fraction. The experimental solubility parameters were used to obtain the Flory-Huggins parameter, based on which the repulsive parameters a(ij), were calculated using the methodology developed by Groot and Warren (1997). Finally, the obtained asphaltene model, it presents the evolution of the Interfacial Tension in DPD unit values, according to the solvents used. It also describes how to obtain the asphaltene solubility parameters.