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

Abstract

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.

Heads or tails: how do chemically substituted fullerenes melt?

“…[7][8][9] In this context, fullerenes may be regarded as exotic quasiparticles due to the short range of attraction relative to their large dimensionality, with the subsequent theoretical implications on its phase diagram and thermodynamic properties. 10 Given the heavy focus over the past decade on the use of substituted fullerenes for technological applications, [11][12][13] not much attention has been given to the study of structural or dynamical disorder leading to the emergence of rotor, glassy, or liquid phases beyond those known for C 60 . Phenyl-C61-butyric acid methyl ester (hereafter PCBM) is a timely case in point, given its extensive use in emerging solar devices and technologies, 1 yet at the same time little is known about how the addition of a soft organic tail to C 60 modifies its phase and thermodynamic behaviour, including the putative existence of a true liquid phase.…”

Hard-core attractive Yukawa fluid global isomorphism with the lattice gas model

“…The potential ( 7) is widely used for the description of systems with screened coulombic interactions like dusty plasma 27 , associated fluids, globular protein solutions 28 , fullerens etc. 29,30 . According to results of 31 the LRD and the law of corresponding states for the HCAYF are observed for λ 7 where the liquid state is considered stable.…”