The binary system benzene—hexafluorobenzene studied by SSOZ theory and computer simulation. I. The charge symmetry model

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The symmetry reduction of the SSOZ equation already developed for pure components is extended to binary mixtures. The general formalism is applied to the binary system C6F6/C6H6, whose “mixing interaction” is described by a simplified “charge symmetry model”. Varying the charge strength in a systematic way the predictions of SSOZ theory are verified by extensive computer simulation (molecular dynamics) studies. Thereby mixtures and pure components are treated in a unified way. Finally, extensions of the “charge symmetry model” are presented and the computed radial excess correlation functions are compared to those measured by neutron and X-ray scattering.