abstract

• In the present work, we consider different fluids described by the same functional form of the Lennard-Jones core-softened (LJCS) truncated and shifted interaction potential, which covers fluids from double well to single well and repulsive shoulder. The liquid-vapour phase diagram and surface tension is studied by means of Molecular Dynamics simulation in the canonical ensemble. Density profiles, orthobaric densities, vapour pressure, surface tension and critical points are investigated. The systematic determination of interface properties allows us to elucidate the influence of a second characteristic length in the interaction potential. Simulation results are analysed in the framework of the principle of corresponding states, and it is shown that the liquid-vapour coexistence satisfies the principle at a certain degree. Finally, we demonstrate that fluids with λ < 0 follow the Ising universality class. © 2018

authors

• Nicasio-Collazo L.A.
• Ramírez González Pedro Ezequiel
• Torres-Carbajal A.
• Trejos M. V.M.

publication date

• 2020-01-01

funding provided via

• 289286/2019, 422753/2019  Grant

published in

• Journal of Molecular Liquids  Journal

keywords

• Corresponding states; Lennard-Jones core-softened; Molecular Dynamics; Phase diagram; Surface tension Molecular dynamics; Phase diagrams; Surface tension; Canonical ensemble; Characteristic length; Core-softened fluids; Corresponding state; Interaction potentials; Molecular dynamics simulations; Orthobaric density; Universality class; Liquids

Digital Object Identifier (DOI)

• 10.1016/j.molliq.2020.113539

start page

end page

volume

• 314