Study of the Adsorption of Alkyl-Benzene-Derived amphiphiles on an Asphaltene Surface Using Molecular Dynamics simulations

摘要

Atomistic simulations using molecular dynamics were made to study the adsorption behavior of alkyl benzene-derived amphiphiles on a 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.