Abstract:The
microscopic origin of the fast dielectric relaxation modes
and the integrated dielectric relaxation times of methanol and ethanol
was investigated by means of cross-correlation analysis of molecular
dynamics simulation. Random force on the fluctuation of collective
dipole moment was correlated with the two-body density mode in both
real and reciprocal spaces. A strong coupling was observed with the
OH alternation mode at 30 nm–1, suggesting that
alternating switching of the hydrogen bond within a hydrogen-… Show more
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