Phase diagrams of model C60 and C70 fullerenes from short-range attractive potentials
作者： Pedro Orea
DOI: 10.1063/1.3081140
关键词:
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 binodal curves these systems correctly reproduce those reported literature for C60 and C70 Girifalco potentials. Besides, we all coexistence collapse into master curve when rescale with their respective critical points.
scitation.org
harvard.edu
aip.org 
sci-hub.se 参考文章(54)
H. W. Kroto, J. R. Heath, S. C. O’Brien, R. F. Curl, R. E. Smalley, C 60 : Buckminsterfullerene Nature. ,vol. 318, pp. 162- 163 ,(1985) , 10.1038/318162A0
Yurko Duda, Ascención Romero-Martínez, Pedro Orea, Phase diagram and surface tension of the hard-core attractive Yukawa model of variable range: Monte Carlo simulations Journal of Chemical Physics. ,vol. 126, pp. 224510- 224510 ,(2007) , 10.1063/1.2743623
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 Schöll-Paschinger, G Kahl, Accurate determination of the phase diagram of model fullerenes EPL. ,vol. 63, pp. 538- 544 ,(2003) , 10.1209/EPL/I2003-00556-5
Ailan Cheng, Michael L. Klein, Carlo Caccamo, Prediction of the phase diagram of rigid C 60 molecules Physical Review Letters. ,vol. 71, pp. 1200- 1203 ,(1993) , 10.1103/PHYSREVLETT.71.1200
M. J. Greenall, Th. Voigtmann, Glass transition in fullerenes: mode-coupling theory predictions Journal of Chemical Physics. ,vol. 125, pp. 194511- 194511 ,(2006) , 10.1063/1.2390705
M. Tau, A. Parola, D. Pini, L. Reatto, Differential theory of fluids below the critical temperature: Study of the Lennard-Jones fluid and of a model of C 60 Physical Review E. ,vol. 52, pp. 2644- 2656 ,(1995) , 10.1103/PHYSREVE.52.2644
Shiqi Zhou, Improvement on macroscopic compressibility approximation and beyond. Journal of Chemical Physics. ,vol. 125, pp. 144518- 144518 ,(2006) , 10.1063/1.2353834
Viatcheslav I. Zubov, Igor V. Zubov, José N. Teixeira Rabelo, Theoretical Study of Thermodynamic Properties of a Family of Fullerites from C36 to C96 in the Equilibrium with Their Vapors Journal of Physical Chemistry B. ,vol. 107, pp. 10458- 10463 ,(2003) , 10.1021/JP035321M
Fernando M. S. Silva Fernandes, Filomena F. M. Freitas, Rui P. S. Fartaria, Phase Diagram and Sublimation Enthalpies of Model C60 Revisited Journal of Physical Chemistry B. ,vol. 108, pp. 9251- 9255 ,(2004) , 10.1021/JP049399U