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Communication: Probing the existence of partially arrested states in ionic liquids.
Ramírez-González, Pedro E; Sanchéz-Díaz, Luis E; Medina-Noyola, Magdaleno; Wang, Yanting.
Afiliação
  • Ramírez-González PE; CONACYT - Instituto de Física "Manuel Sandoval Vallarta," Universidad Autónoma de San Luis Potosí, Álvaro Obregón 64, 78000 San Luis Potosí, SLP, Mexico.
  • Sanchéz-Díaz LE; Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996, USA.
  • Medina-Noyola M; Instituto de Física "Manuel Sandoval Vallarta," Universidad Autónoma de San Luis Potosí, Álvaro Obregón 64, 78000 San Luis Potosí, SLP, Mexico.
  • Wang Y; State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences, 55 East Zhongguancun Road, P.O. Box 2735, Beijing 100190, China.
J Chem Phys ; 145(19): 191101, 2016 Nov 21.
Article em En | MEDLINE | ID: mdl-27875862
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.
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Base de dados: MEDLINE Idioma: En Ano de publicação: 2016 Tipo de documento: Article
Buscar no Google
Base de dados: MEDLINE Idioma: En Ano de publicação: 2016 Tipo de documento: Article