Excess volume of homonuclear diatomic mixtures.
Moravek, P.; Kolafa, J.; Hujo, T. etc.,
The Journal of Molecular Liquids, 125 22 - 28 (2006)
A new fast and robust numerical method of solving the Omstein-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 B-5.