Phase diagram and surface tension of the hard-core attractive Yukawa model of variable range: Monte Carlo simulations

作者: Yurko Duda , Ascención Romero-Martínez , Pedro Orea

DOI: 10.1063/1.2743623

关键词: Statistical physicsPhysicsKinetic Monte CarloQuantum Monte CarloYukawa potentialDynamic Monte Carlo methodMonte Carlo methodMonte Carlo method in statistical physicsMonte Carlo molecular modelingHybrid Monte Carlo

摘要: The liquid-vapor phase diagram and surface tension for hard-core Yukawa potential with 4⩽κ⩽7 are calculated by applying canonical Monte Carlo simulation. authors’ new simulation results more precise than those reported before, which allows them to affirm the accuracy of previously self-consistent Ornstein-Zernike approximation calculations κ=5 7.

参考文章(35)
M. H. J. Hagen, E. J. Meijer, G. C. A. M. Mooij, D. Frenkel, H. N. W. Lekkerkerker, Does C60 have a liquid phase Nature. ,vol. 365, pp. 425- 426 ,(1993) , 10.1038/365425A0
E. M. Apfelbaum, V. S. Vorob'ev, G. A. Martynov, Triangle of liquid-gas states. Journal of Physical Chemistry B. ,vol. 110, pp. 8474- 8480 ,(2006) , 10.1021/JP057327C
Shiqi Zhou, Improvement on macroscopic compressibility approximation and beyond. Journal of Chemical Physics. ,vol. 125, pp. 144518- 144518 ,(2006) , 10.1063/1.2353834
Alejandro Gil-Villegas, Amparo Galindo, Paul J. Whitehead, Stuart J. Mills, George Jackson, Andrew N. Burgess, Statistical associating fluid theory for chain molecules with attractive potentials of variable range Journal of Chemical Physics. ,vol. 106, pp. 4168- 4186 ,(1997) , 10.1063/1.473101
Marjolein Dijkstra, Phase behavior of hard spheres with a short-range Yukawa attraction. Physical Review E. ,vol. 66, pp. 021402- ,(2002) , 10.1103/PHYSREVE.66.021402
R. López-Rendón, Y. Reyes, P. Orea, Thermodynamic properties of short-range square well fluid Journal of Chemical Physics. ,vol. 125, pp. 084508- 084508 ,(2006) , 10.1063/1.2338307
M Arias, L Blum, Structure of multi-component/multi-Yukawa mixtures Journal of Physics: Condensed Matter. ,vol. 18, ,(2006) , 10.1088/0953-8984/18/36/S16
C Caccamo, G Pellicane, D Costa, Phase transitions in hard-core Yukawa fluids: toward a theory of phase stability in protein solutions Journal of Physics: Condensed Matter. ,vol. 12, ,(2000) , 10.1088/0953-8984/12/8A/360