Excess volume of homonuclear diatomic mixtures

  • Morávek P
  • Kolafa J
  • Hujo T
 et al. 
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A new fast and robust numerical method of solving the Ornstein-Zernike integral equation is described and tested on the binary mixture of hard diatomic molecules. The method combines direct iterations and the Newton-GMRES algorithm. Excess volumes of a mixture of hard homonuclear dumbbells with reduced elongations L* = 0.3 and 0.6 are calculated and compared to computer simulations and several equations of state including the virial expansion up to B5. © 2005 Elsevier B.V. All rights reserved.

Author-supplied keywords

  • Excess volume
  • Homonuclear diatomic
  • Newton-GMRES
  • Ornstein-Zernike
  • Virial coefficient

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