Molecular dynamics simulation of water/AOT/isooctane reverse micelles was performed. The frequency-dependent dielectric response was extracted directly from the time-dependent polarization without the use of fitting functions. The results were interpreted using a continuum Hamiltonian governing dielectric fluctuations, which explains the frequency shift of the water Debye peak to higher frequency by roughly an order of magnitude. The lower frequency response is explained in terms of coupling of head group, counterion and water polarization fluctuations.

Molecular dynamics analysis of the frequency-dependent dielectric response of water/AOT/isooctane reverse micelles

ACS Spring 2022

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