Abstract
Surfactant adsorption at liquid-liquid interfaces plays an important role in fossil energy fields such as enhanced oil recovery, and temperature is the main factor causing significant changes in surfactant adsorption at interfaces, thus determining the related interfacial tension. In this work, the effect of temperature on the interfacial structure of the tri-n-butyl phosphate (TBP) saturated water/octane was investigated through molecular dynamics simulations. We found that the lowest point of the interfacial tension curve occurs at 280 K. To explain this phenomenon, the effects of temperature on surfactant adsorption, interfacial stability, hydrogen bond network, and water extraction were focused. 280 K corresponds to the maximum adsorption concentration of surfactants, promoting the formation of the water-bridged TBP dimer adduct, TBP(H2O)TBP. These aggregates significantly reduce the connectivity between bridging water and the instantaneous interface, which in turn increases surface fluctuations and creates more protrusions, thus promoting subsequent water extraction processes. These results provide important theoretical clues for studying temperature-dependent surface heterogeneity.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
