MOLECULAR-DYNAMICS SIMULATIONS OF THE DEPOLARIZED RAYLEIGH SPECTRA OF CS2/CCL4 LIQUID-MIXTURES

Molecular dynamics simulations were used to calculate the depolarized Rayleigh light scattering spectra of CS2/CCl4 liquid mixtures at 298 K modelling the intermolecular interactions by atom-atom Lennard-Jones potentials. Approximating each molecule as a point scatterer these spectra were obtained using the dipole-induced dipole mechanism for the interaction-induced polarizability. Intensities and lineshapes of the first-order perturbation theory for the system polarizability of this model are compared to the exact all-order results. The agreement of both models with experimental spectra is in some respects satisfactory, but also displays characteristic deviations.