Atomistic simulations using molecular dynamics were made to study the adsorption behavior of alkyl benzene-derived amphiphiles on an asphaltene surface from n-heptane. The results obtained indicate that the interaction energies involved in the adsorption process depend on the polarizability and also on the dipole moment of the amphiphile. Based on the interaction energies calculated, a rough estimation of the characteristic adsorption energy at high and low coverage degrees studied was carried out. At low coverage, the amphiphiles prefer to lie parallel to the surface and there is a strong dependence between the adsorption energy and the dipole moment of the amphiphile. On the contrary, at high coverage, the adsorption energies are influenced mainly by the polarizability of the amphiphile. At this coverage, the simulations show evidence of the incipient formation of amphiphile aggregates on the asphaltene surface, with the amphiphiles having their heads lying parallel to the asphaltene surface and their tails extending isotropically toward the n-heptane. The simulations also show that an increase in the size of the amphiphile's head leads to an increase in the atomic density near the asphaltene surface that can improve the steric barrier to the asphaltene flocculation. This finding explains the increase of the efficiency as asphaltene stabilizers of the alkyl phenol ethoxylated amphiphiles with the size of the ethoxylated chain.