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 $T^{\ast }=\frac{k_{{}_B}T}{\epsilon }$ in the range $0.6\le T^{\ast }\le 3.0$. 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.

LaTeX-Revtex file with 7 encapsulated postscript figures. Accepted for publication in Journal of Chemical Physics

References in corpus (1)

• Liquid-vapour phase behaviour of a symmetrical binary fluid mixture

Cited by in corpus (3)

• Wetting phenomenon in the liquid-vapor phase coexistence of a partially miscible Lennard-Jones binary mixture
• Mapping molecular models to continuum theories for partially miscible fluids
• Metastable liquid lamellar structures in binary and ternary mixtures of Lennard-Jones fluids