Metastable liquid lamellar structures in binary and ternary mixtures of Lennard-Jones fluids

Details Metastable liquid lamellar structures in binary and ternary mixtures of Lennard-Jones fluids Metastable liquid lamellar structures in binary and ternary mixtures of Lennard-Jones fluids

2003-11-18

arxiv.org/abs/cond-mat/0311408v1

Physics

Condensed Matter

Soft Condensed Matter

18 Latex-RevTex pages including 12 encapsulated postscript figures. Figures with better resolution available upon request. Acc

Scientific paper

10.1103/PhysRevE.68.061204

We have carried out extensive equilibrium molecular dynamics (MD) simulations to investigate the Liquid-Vapor coexistence in partially miscible binary and ternary mixtures of Lennard-Jones (LJ) fluids. We have studied in detail the time evolution of the density profiles and the interfacial properties in a temperature region of the phase diagram where the condensed phase is demixed. The composition of the mixtures are fixed, 50% for the binary mixture and 33.33% for the ternary mixture. The results of the simulations clearly indicate that in the range of temperatures $78 < T < 102 ^{\rm o}$K, --in the scale of argon-- the system evolves towards a metastable alternated liquid-liquid lamellar state in coexistence with its vapor phase. These states can be achieved if the initial configuration is fully disordered, that is, when the particles of the fluids are randomly placed on the sites of an FCC crystal or the system is completely mixed. As temperature decreases these states become very well defined and more stables in time. We find that below $90 ^{\rm o}$K, the alternated liquid-liquid lamellar state remains alive for 80 ns, in the scale of argon, the longest simulation we have carried out. Nonetheless, we believe that in this temperature region these states will be alive for even much longer times.

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