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

Authors

  • Héctor Domínguez Castro Instituto de Investigaciones en Materiales UNAM
  • Hugo Espinosa-Jiménez Instituto de Investigaciones en Materiales UNAM

DOI:

https://doi.org/10.31349/RevMexFis.65.20

Keywords:

CO2 adsorption, Anionic surfactant, Surface adsorption, Molecular dynamics

Abstract

Molecular dynamics simulations were carried out to study adsorption of CO2 on a
graphite surface at different gas concentrations. It was observed a decrement in the adsorption on the graphite surface as the CO2 concentration increased. When the graphite surface was modified by the presence of surfactant molecules, sodium dodecyl sulfate (SDS), the results indicated that gas adsorption increased with respect to the system without SDS. Analysis of density profiles were used to characterise adsorption and langmuir isotherms constructed for the systems with and without SDS-modified surfaces. Interactions between the graphite plate and CO2 were investigated in terms of pair distribution functions.

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Published

2018-12-31

How to Cite

[1]
H. Domínguez Castro and H. Espinosa-Jiménez, “CO2 adsorption on a modified graphite surface with sodium dodecyl sulfate surfactants: A molecular dynamics study”, Rev. Mex. Fís., vol. 65, no. 1 Jan-Feb, pp. 20–24, Dec. 2018.

Issue

Vol. 65 No. 1 Jan-Feb (2019): Revista Mexicana de Física

Section

05 Condensed Matter

License

Authors retain copyright and grant the Revista Mexicana de Física right of first publication with the work simultaneously licensed under a CC BY-NC-ND 4.0 that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.