Communication: Probing the existence of partially arrested states in ionic liquids.
Communication: Probing the existence of partially arrested states in ionic liquids.
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DOI：
10.1063/1.4967518
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发表时间：
2016-11
期刊：
影响因子：
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通讯作者：
P. Ramírez-González;L. Sánchez-Diáz;M. Medina-Noyola;Yanting Wang
中科院分区：
文献类型：
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作者：
P. Ramírez-González;L. Sánchez-Diáz;M. Medina-Noyola;Yanting Wang
最近的预测的自洽广义Langevin方程理论，描述不寻常的部分逮捕状态的存在下，在离子液体的背景下，探测使用全原子分子动力学模拟的室温离子液体。我们已经发现，在很宽的温度范围内，与大的阳离子相比，较小的阴离子的扩散较慢。逮捕机制包括上形成的强烈排斥玻璃的阴离子，稳定的远程静电势。排斥性较小的阳离子通过小颗粒留下的空穴扩散。我们在模拟系统中的所有观察结果都与理论图像相吻合。
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.