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Charged dendrimers under the action of AC electric fields: Breathing characteristics of molecular size, polarizations, and ion distributions
Journal article   Peer reviewed

Charged dendrimers under the action of AC electric fields: Breathing characteristics of molecular size, polarizations, and ion distributions

Ashok K. Das and Pai-Yi Hsiao
Journal of Chemical Physics, Vol.142(8), 084902
28/02/2015

Abstract

Langevin dynamics simulations are performed to study the response of charged dendrimers in alternating current electric fields in 3:1 salt solutions. Time evolutions of molecular size show breathing characteristics which take saw-tooth-like patterns in square-wave electric fields and undulated sine-function ones in sine-wave fields. Detailed study reveals how the dendrimer and condensed ions oscillate in the electric fields, which result in polarization of the molecule. To effect a significant deformation of the dendrimer, the applied field amplitude must be larger than some critical strength E crit and the field frequency smaller than a threshold f crit . The response behavior is characterized by two relaxation times in square-wave fields, both of which decrease linearly with the strong field strength larger than E crit . In sine-wave fields, the molecular size exhibits interesting hysteretic behavior in plotting the curves with the field variation. A Maxwell-Wagner type polarization theory is derived and proved by simulations, which connects f crit with the strength of the applied electric field.

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