Collect. Czech. Chem. Commun. 2008, 73, 533-540

The Effect of Cross Interactions on Mixing Properties: Non-Lorentz-Berthelot Lennard-Jones Mixtures

Michael Rouhaa,*, Filip Moučkaa and Ivo Nezbedaa,b

a Faculty of Science, J. E. Purkinje University, 400 96 Ústí nad Labem, Czech Republic
b E. Hála Laboratory of Thermodynamics, Institute of Chemical Process Fundamentals, Academy of Sciences of the Czech Republic, 165 02 Prague 6, Czech Republic


Binary mixtures of two identical Lennard-Jones fluids with non-Lorentz-Berthelot combining rules have been simulated at ambient-like conditions in order to examine the effect of cross interactions on mixing properties - excess volumes and enthalpies. Various combinations of deviations of both energy and size cross parameters from the Lorentz-Berthelot rules have been considered. Whereas consequences of the deviations for excess volume are rather straightforward, a variety of behavior types is found for excess enthalpy, including an excess function with three extrema.

Keywords: Binary mixtures; Lennard-Jones fluids; Non-Lorentz-Berthelot rules.

References: 6 live references.