Molecular dynamics and theory for the contact values of the radial distribution functions of hard-disk fluid mixtures.
We report molecular dynamics results for the contact values of the radial distribution functions of binary additive mixtures of hard disks. The simulation data are compared with theoretical predictions from expressions proposed by Jenkins and Mancini [J. Appl. Mech. 54, 27 (1987)] and Santos et al. [J. Chem. Phys. 117, 5785 (2002)]. Both theories agree quantitatively within a very small margin, which renders the former still a very useful and simple tool to work with. The latter (higher-order and self-consistent) theory provides a small qualitative correction for low densities and is superior especially in the high-density domain.
Luding
Stefan
S
Particle Technology, DelftChemTech, Julianalaan 136, 2628-BL Delft, The Netherlands. s.luding@tnw.tudelft.nl
Santos
Andrés
A