Decane structure on a graphite surface with sodium dodecyl sulfate and betaine surfactant mixtures: A molecular dynamics study

2020 ◽  
Vol 539 ◽  
pp. 110945
Author(s):  
Ana Beatriz Salazar-Arriaga ◽  
Hector Dominguez
Keyword(s):  
Molecular Dynamics ◽  
Sodium Dodecyl Sulfate ◽  
Sodium Dodecyl ◽  
Graphite Surface ◽  
Surfactant Mixtures ◽  
Dodecyl Sulfate

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

2018 ◽  
Vol 65 (1) ◽  
pp. 20
Author(s):  
Héctor Domínguez Castro ◽  
Hugo Espinosa-Jiménez
Keyword(s):  
Molecular Dynamics ◽  
Sodium Dodecyl Sulfate ◽  
Gas Adsorption ◽  
Sodium Dodecyl ◽  
Co2 Concentration ◽  
Distribution Functions ◽  
Graphite Surface ◽  
Graphite Plate ◽  
Dodecyl Sulfate ◽  
Dynamics Simulations

Molecular dynamics simulations were carried out to study adsorption of CO2 on agraphite 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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