Resumen de CO2 adsorption on a modified graphite surface with sodium dodecyl sulfate surfactants: a molecular dynamics study

H. Espinosa Jiménez, H. Domínguez

• Molecular dynamics simulations were carried out to study adsorption of CO_(2) on a graphite surface at different gas concentrations. As the CO_(2) concentration increased, a decrement in the adsorption on the graphite surface was observed. When the graphite surface was modified by the presence of surfactant molecules, sodium dodecyl sulfate, the results indicated that gas adsorption increased with respect to the system without surfactant. Analysis of density profiles were used to characterize adsorption and Langmuir isotherms constructed for the systems with and without surfactant modified surfaces. Interactions between the graphite plate and CO_(2) were investigated in terms of pair distribution functions.