MODEL EQUATION OF STATE OF LIQUID C60 BASED ON HARD SPHERE–YUKAWA POTENTIAL

Abstract

The series mean spherical approximation (SMSA) for the hard sphere–Yukawa (HSYK) fluid is applied to C 60. The energy and range parameters of HSYK potential have been reduced to one parameter by forcing the q→0 limit of the Fourier transform of the potential to be identical to that of the empirical potential of C 60. The new equation of state (EOS) allows us to investigate the liquid–vapor coexistence curve and calculate the thermodynamic properties of liquid C 60. The comparisons with computer simulation results suggest the importance of treating the attractive tail of the potential accurately. The estimated critical parameters Tc=1984.8 K , ρc=0.464 nm -3 and Pc=36.3 bar , which are in good agreement with NVT-Monte Carlo computer simulation predictions. The results are discussed by making reference to previous studies.