Thermodynamic properties of the two higher fullerites C70 and C96 along the liquid-vapor coexistence curve

M. Bahaa Khedr, S. M. Osman

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

A brief review is presented for the pre-history and discovery of fullerenes. Single-site potentials with parameters proposed by Girifalco was used to describe the interactions of the fullerene molecules C70 and C96. We present theoretical model for calculating the thermodynamic properties of liquid for both C70 and C96 by means of an improved equation of state (EOS), in which the particles are interacting via pair wise interaction composed of suitable linear combination of three Yukawa functions (3YK). The proposed equation of state provides a powerful mathematical formalism for the Helmholtz free energy and the pressure within the series mean-spherical approximation (SMSA) which are the basic ingredients to compute the liquid-vapour coexistence curve of C70 and C96 as well as the other thermodynamic properties for the bulk liquid and the vapour phases. The comparisons with Gibbs ensemble Monte Carlo (GEMC) simulations and the self-consistent Ornstein-Zernike approximation (SCOZA) were carried out. The estimated critical parameters for both C70 and C96 are TC=2176K, ρC=0.44nm-3, PC=51.64 bars and TC=2477K, ρC=0.32nm-3, PC=44.28 bars respectively. It is to be noted that the obtained results of the thermodynamic properties along the binodal curves of C70 and C 96 are exhibit interesting features.

Original languageEnglish
Title of host publicationAIP Conference Proceedings
Pages173-184
Number of pages12
Volume1370
DOIs
Publication statusPublished - 2011
Event5th Saudi Physical Society Conference, SPS5 - Abha, Saudi Arabia
Duration: Oct 25 2010Oct 27 2010

Other

Other5th Saudi Physical Society Conference, SPS5
CountrySaudi Arabia
CityAbha
Period10/25/1010/27/10

Fingerprint

thermodynamic properties
vapors
fullerenes
equations of state
curves
liquids
approximation
ingredients
free energy
histories
interactions
vapor phases
formalism
molecules
simulation

Keywords

  • equation of state
  • fullerenes and fullerites
  • Girifalco potential for C and C
  • liquid-vapor coexistence of C and C
  • thermodynamic properties of C and C

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Thermodynamic properties of the two higher fullerites C70 and C96 along the liquid-vapor coexistence curve. / Khedr, M. Bahaa; Osman, S. M.

AIP Conference Proceedings. Vol. 1370 2011. p. 173-184.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Khedr, MB & Osman, SM 2011, Thermodynamic properties of the two higher fullerites C70 and C96 along the liquid-vapor coexistence curve. in AIP Conference Proceedings. vol. 1370, pp. 173-184, 5th Saudi Physical Society Conference, SPS5, Abha, Saudi Arabia, 10/25/10. https://doi.org/10.1063/1.3638099
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