Bonded hard-sphere theory and computer simulation of the equation of state of linear fused–hard-sphere fluids

2003 ◽  
Vol 119 (18) ◽  
pp. 9633-9639 ◽  
Author(s):  
J. Largo ◽  
M. J. Maeso ◽  
J. R. Solana ◽  
C. Vega ◽  
L. G. MacDowell
Keyword(s):  
Computer Simulation ◽  
Equation Of State ◽  
Hard Sphere

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

2006 ◽  
Vol 20 (23) ◽  
pp. 3373-3382 ◽  
Author(s):  
M. BAHAA KHEDR
Keyword(s):  
Computer Simulation ◽  
Equation Of State ◽  
Hard Sphere ◽  
Yukawa Potential ◽  
Coexistence Curve ◽  
Critical Parameters ◽  
Spherical Approximation ◽  
Mean Spherical Approximation ◽  
The Fourier Transform ◽  
New Equation

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.

Critical consolute point in hard-sphere binary mixtures: Effect of the value of the eighth and higher virial coefficients on its location

2010 ◽  
Vol 75 (3) ◽  
pp. 359-369 ◽  
Author(s):  
Mariano López De Haro ◽  
Anatol Malijevský ◽  
Stanislav Labík
Keyword(s):  
Equation Of State ◽  
Binary Mixtures ◽  
Hard Sphere ◽  
Hard Spheres ◽  
Virial Coefficients ◽  
Fluid Mixture ◽  
Binary Fluid ◽  
Virial Series ◽  
Consolute Point ◽  
Critical Constants

Various truncations for the virial series of a binary fluid mixture of additive hard spheres are used to analyze the location of the critical consolute point of this system for different size asymmetries. The effect of uncertainties in the values of the eighth virial coefficients on the resulting critical constants is assessed. It is also shown that a replacement of the exact virial coefficients in lieu of the corresponding coefficients in the virial expansion of the analytical Boublík–Mansoori–Carnahan–Starling–Leland equation of state, which still leads to an analytical equation of state, may lead to a critical consolute point in the system.

Equation of state and correlation function contact values of a hard sphere mixture

2000 ◽  
Vol 98 (15) ◽  
pp. 1005-1010 ◽  
Author(s):  
Douglas Henderson ◽  
Kwong-Yu Chan
Keyword(s):  
Correlation Function ◽  
Equation Of State ◽  
Hard Sphere
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