Phase equilibria and interfacial properties of two-dimensional Yukawa fluids

Abstract

Molecular dynamics simulations of two-dimensional soft Yukawa fluids are performed to analyze the effect that the range of interaction has on coexisting densities and line tension. The attractive one-component fluid and equimolar mixtures containing positive and negative particles are studied at different temperatures to locate the region where the vapor-solid and vapor-liquid phases are stable. When the range of interaction decreases, the critical temperature of the attractive one-component systems decreases. However, for the charged mixtures it increases, and this opposite behaviour is understood in terms of the repulsive interactions which are dominant for these systems. The stable phase diagram of two-dimensional fluids is defined for smaller values of the decay parameter λ than that of fluids in three dimensions. The two-dimensional attractive one-component fluid has stable liquid-vapor phase diagram for values of λ < 3, in contrast to the three-dimensional case, where stability has been observed even for values of λ < 15. The same trend is observed in equimolar mixtures of particles carrying opposite charges.

Vapor-liquid equilibrium and equation of state of two-dimensional fluids from a discrete perturbation theory

“…Given the peculiar results obtained in Ref. 55 for values of κ higher than 1.8 (with densities well above ρ * = 1), we report our results only for κ = 1 and 1.8 in Fig. 5.…”

“…To the best of our knowledge, the only available results for the 2D Yukawa model can be found in Ref. 55, but with a slightly different functional form, as required for the molecular dynamics method employed there. Given the peculiar results obtained in Ref.…”

“…VLE of the 2D Yukawa fluids with κ = 1 and 1.8. Symbols correspond to simulation results from Ref 55…”

Modelling the atomic arrangement of amorphous 2D silica: a network analysis

“…The Coulomb potential is approximated as a Yukawa potential. As shown by Méndez-Maldonado et al 32,33 for Yukawa systems in two dimensions, it is possible to simulate ionic properties with that potential. We have used a softer core potential than Méndez-Maldonado et al together with the Yukawa term.…”

Global isomorphism approach: Attractive Yukawa fluid, 2D case

“…In Section 2, we map the binodal of the 2D Ising model (Onsager solution) on 2D HCAYF binodal via (6) and checking it using available data of [33]. We also discuss the procedure of extrapolation of the fluid binodal to the low-temperature region.…”