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

Abstract

By means of extensive equilibrium molecular dynamics simulations we have investigated, the behavior of the interfacial tension $\gamma$ of two immiscible symmetrical Lennard-Jones fluids. This quantity is studied as function of reduced temperature $T^{*}={{k_{_B} T}\over \epsilon}$ 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, $\gamma (T)$ 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 $\gamma$ decays monotonically as the concentration of the surfactant-like particles increases.