Liquid-vapour phase diagram and surface tension of the Lennard-Jones core-softened fluid

被引:6
|
作者
Torres-Carbajal, Alexis [1 ]
Adriana Nicasio-Collazo, Luz [1 ]
Trejos M, Victor M. [2 ]
Ramirez-Gonzalez, Pedro E. [3 ]
机构
[1] Univ Autonoma San Luis Potosi, Inst Fis Manuel Sandoval Vallarta, Alvaro Obregon 64, San Luis Potosi 78000, San Luis Potosi, Mexico
[2] Univ Autonoma Estado Hidalgo, Inst Ciencias Basicas & Ingn, Carretera Pachuca Tulancingo Km 4-5, Mineral De La Reforma 42184, Hidalgo, Mexico
[3] Univ Autonoma San Luis Potosi, Inst Fis Manuel Sandoval Vallarta, CONACYT, Alvaro Obregon 64, San Luis Potosi 78000, San Luis Potosi, Mexico
关键词
Lennard-Jones core-softened; Phase diagram; Surface tension; Corresponding states; Molecular Dynamics; MOLECULAR-DYNAMICS SIMULATION; CORRESPONDING STATES; TRANSITIONS; COEXISTENCE; INTERFACE; ANOMALIES; MODEL; WATER; EQUILIBRIA; COLLAPSE;
D O I
10.1016/j.molliq.2020.113539
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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 lambda < 0 follow the Ising universality class. (C) 2020 Elsevier B.V. All rights reserved.
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页数:9
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