Phase diagrams of model C60 and C70 fullerenes from short-range attractive potentials

被引：8

作者：

Orea, Pedro ^{[1
]}

机构：

[1] Inst Mexicano Petr, Programma Ingn Mol, Mexico City 07730, DF, Mexico

来源：

JOURNAL OF CHEMICAL PHYSICS | 2009年 / 130卷 / 10期

关键词：

critical points; fullerenes; liquid-vapour transformations; Monte Carlo methods; phase diagrams; EQUATION-OF-STATE; MONTE-CARLO-SIMULATION; THERMODYNAMIC PROPERTIES; SUBLIMATION ENTHALPIES; YUKAWA SYSTEM; LIQUID-PHASE; SOLID C-60; FLUIDS; MOLECULES; COEXISTENCE;

D O I：

10.1063/1.3081140

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：

We report a computer-simulation study of six model fluids interacting through short-range attractive potentials in order to calculate the vapor-liquid (VL) diagrams using canonical Monte Carlo simulation. It is found that the binodal curves of these systems correctly reproduce those reported in the literature for C-60 and C-70 Girifalco potentials. Besides, we found that all coexistence curves collapse into a master curve when we rescale with their respective critical points.

引用

页数：5

共 53 条

[1] Molecular-dynamics simulations of solid C-60 and C-70 through a spherical two-body potential
Abramo, MC
Caccamo, C
[J]. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1996, 57 (11) : 1751 - 1755
[2] Phase and glass transitions in short-range central potential model systems:: The case of C60
Abramo, MC
Caccamo, C
Costa, D
Ruberto, R
[J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (50) : 24077 - 24084
[3] Phase diagram of model Cn≥70 fullerenes
Abramo, MC
Caccamo, C
Costa, D
Pellicane, G
[J]. EUROPHYSICS LETTERS, 2001, 54 (04): : 468 - 474
[4] FULLERENES - ELUSIVE DIFFUSIVE LIQUIDS
ASHCROFT, NW
[J]. NATURE, 1993, 365 (6445) : 387 - 388
[5] Analytical implementation and critical tests of fluid thermodynamic perturbation theory
Ben-Amotz, D
Stell, G
[J]. JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (20) : 10777 - 10788
[6] Microscopic theories of model macromolecular fluids and fullerenes: The role of thermodynamic consistency
Caccamo, C
Pellicane, G
[J]. JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (10) : 5072 - 5085
[7] A Gibbs ensemble Monte Carlo study of phase coexistence in model C-60
Caccamo, C
Costa, D
Fucile, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1997, 106 (01) : 255 - 263
[8] Coexistence and criticality of fluids with long-range potentials
Camp, PJ
Patey, GN
[J]. JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (01) : 399 - 408
[9] Vapor-liquid and vapor-solid phase equilibria of fullerenes: The role of the potential shape on the triple point
Chen, B
Siepmann, JI
Karaborni, S
Klein, ML
[J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2003, 107 (44) : 12320 - 12323
[10] PREDICTION OF THE PHASE-DIAGRAM OF RIGID C-60 MOLECULES
CHENG, A
KLEIN, ML
CACCAMO, C
[J]. PHYSICAL REVIEW LETTERS, 1993, 71 (08) : 1200 - 1203

← 1 2 3 4 5 6 →