abstract

• The recent predictions of the self-consistent generalized Langevin equation theory, describing the existence of unusual partially arrested states in the context of ionic liquids, were probed using all-atom molecular dynamics simulations of a room-temperature ionic liquid. We have found a slower diffusion of the smaller anions compared with the large cations for a wide range of temperatures. The arrest mechanism consists on the formation of a strongly repulsive glass by the anions, stabilized by the long range electrostatic potential. The diffusion of the less repulsive cations occurs through the holes left by the small particles. All of our observations in the simulated system coincide with the theoretical picture. © 2016 Author(s).

authors

• Medina Noyola Magdaleno
• Ramírez González Pedro Ezequiel
• Sánchez-Díaz L.E.
• Wang Y.

publication date

• 2016-01-01

funding provided via

• Consejo Nacional de Ciencia y Tecnología, CONACYT: 1631, 257636, CB-2015-01  Grant
• National Defense Basic Scientific Research Program of China: 2013CB932804  Grant
• National Natural Science Foundation of China, NSFC: 11274319, 11421063  Grant

published in

• Journal of Chemical Physics  Journal

keywords

• Differential equations; Liquids; Molecular dynamics; Positive ions; Electrostatic potentials; Generalized Langevin equation theories; Molecular dynamics simulations; Room temperature ionic liquids; Simulated system; Small particles; Ionic liquids

Digital Object Identifier (DOI)

• 10.1063/1.4967518

start page

end page

volume

• 145

issue

• 19