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Interfacial tension behavior of binary and ternary mixtures of partially miscible Lennard-Jones fluids: a molecular dynamics simulation

Enrique Diaz-Herrera·José Alejandre·Guillermo Ramírez-Santiago·F. Forstmann
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Abstract

By means of extensive equilibrium molecular dynamics simulations we have investigated, the behavior of the interfacial tension $γ$ of two immiscible symmetrical Lennard-Jones fluids. This quantity is studied as function of reduced temperature $T^{*}={{k_{_B} T}\over ε}$ in the range $0.6 \leq T^{*} \leq 3.0$. We find that, unlike the monotonic decay obtained for the liquid-vapor interfacial tension, for the liquid-liquid interface, $γ(T)$ has a maximum at a specific temperature. We also investigate the effect that surfactant-like particles has on the thermodynamic as well as the structural properties of the liquid-liquid interface. It is found that $γ$ decays monotonically as the concentration of the surfactant-like particles increases.

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Enrique Diaz-Herrera, José Alejandre, Guillermo Ramírez-Santiago, F. Forstmann. 1999-01-12. Interfacial tension behavior of binary and ternary mixtures of partially miscible Lennard-Jones fluids: a molecular dynamics simulation. https://doi.org/10.1063/1.478710

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