Exploring the effect of the O -(1-heptylnonyl) benzene sulfonate surfactant on the nature of the linear hydrocarbons/water interface by means of an atomistic molecular dynamics simulation
Using molecular dynamics simulations a systematic study of the binding energy per cross sectional area for the water/n-alkane (hexane, octane, decane, dodecane and tetradecane) interfaces was performed. The effect of the Sodium p-(1-heptylnonyl) benzene sulfonate surfactant, on the adhesion forces o...
- Autores:
-
Aray, Yosslen
Parra, José Gregorio
Jiménez, Doris Marianela
Paredes, Ricardo
Matiz, Alejandro
Samaniego, Samantha
- Tipo de recurso:
- Article of investigation
- Fecha de publicación:
- 2017
- Institución:
- Universidad de Ciencias Aplicadas y Ambientales U.D.C.A
- Repositorio:
- Repositorio Institucional UDCA
- Idioma:
- eng
- OAI Identifier:
- oai:repository.udca.edu.co:11158/3818
- Palabra clave:
- Hexano
Adhesión
Benceno
Cubos de almacenamiento
Hidrocarburos
Parafinas
- Rights
- openAccess
- License
- https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode.es
| Summary: | Using molecular dynamics simulations a systematic study of the binding energy per cross sectional area for the water/n-alkane (hexane, octane, decane, dodecane and tetradecane) interfaces was performed. The effect of the Sodium p-(1-heptylnonyl) benzene sulfonate surfactant, on the adhesion forces of the water/n-hydrocarbon (decane, undecane, dodecane, and tetradecane) interfaces was studied. Scanning of the binding energy per area against n-alkanes shows that the magnitude of this parameter for the surfactant tail-alkane interactions at the interface systematically increases with the chain length of the alkane, whereas it shows a maximum at undecane for the water-surfactant head interactions at the interface. This maximum of head adhesion forces thus agrees with the reported minimum value of the interfacial tension at undecane for the p-(1-heptylnonyl) benzene sulfonate, suggests that for the water/alkane interface it is this trend in surfactant head adhesion at the interface that defines that interfacial tension minimum value. |
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