“…Theoretical studies based on computational molecular simulations have made it possible to elucidate phenomenological aspects of asphaltene aggregation and their impact on viscosity. ,,,, Using model solutions to develop an atomistic description of the experimentally evaluated systems has permitted researchers to establish ideas concerning asphaltene aggregation mechanisms, ,,− viscosity determinations, ,,, and other phenomena. One of the most important, and perhaps most controversial activities, is representing the entire complexity of the asphaltene fraction of crude oil in an average molecular structure or a group of molecular structures. ,,− Therefore, several studies focused on proposing adequate molecular structures which allow a reliable representation of the physical behavior of a specific asphaltene type. ,,, Numerous investigations have focused on determining the mechanisms of asphaltene aggregation in n -heptane and toluene using molecular dynamics. ,,, The results indicate that asphaltene aggregation is promoted in both solvents. ,− Furthermore, authors have identified that the aggregation of asphaltenes in organic solvents, such as n -heptane or toluene, occurs via van der Waals type energies and the π–π interactions between the aromatic nuclei of asphaltene molecular structures. ,,, In contrast, the behavior of asphaltene molecules dissolved in polar solvents, such as water, are determined to a greater extent by electrostatic interactions and the formation of hydrogen bonds than van der Waals interactions. − …”