| Journal: | Revista mexicana de física |
| Database: | PERIÓDICA |
| System number: | 000429658 |
| ISSN: | 0035-001X |
| Authors: | Espinosa Jiménez, H1 Domínguez, H1 |
| Institutions: | 1Universidad Nacional Autónoma de México, Instituto de Investigaciones en Materiales, Ciudad de México. México |
| Year: | 2019 |
| Season: | Ene-Feb |
| Volumen: | 65 |
| Number: | 1 |
| Country: | México |
| Language: | Inglés |
| Document type: | Artículo |
| Approach: | Analítico, teórico |
| English abstract | Molecular dynamics simulations were carried out to study adsorption of CO2 on a graphite surface at different gas concentrations. As the CO2 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 CO2 were investigated in terms of pair distribution functions |
| Disciplines: | Física y astronomía |
| Keyword: | Física de materia condensada, Adsorción de CO2, Tensioactivo aniónico, Adsorción superficial, Dinámica molecular |
| Keyword: | Condensed matter physics, CO2 adsorption, Anionic surfactant, Surface adsorption, Molecular dynamics |
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