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首页> 外文期刊>Physical Review X >Re-entrant Phase Transitions and Dynamics of a Nanoconfined Ionic Liquid
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Re-entrant Phase Transitions and Dynamics of a Nanoconfined Ionic Liquid

机译：纳米胺离子液体的再参赛相变和动力学

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Ionic liquids constrained at interfaces or restricted in subnanometric pores are increasingly employed in modern technologies, including energy applications. Understanding the details of their behavior in these conditions is therefore critical. By using molecular dynamics simulation, we clarify theoretically and numerically the effect of confinement at the nanoscale on the static and dynamic properties of an ionic liquid. In particular, we focus on the interplay among the size of the ions, the slit pore width, and the length scale associated to the long-range organization of polar and apolar domains present in the bulk material. By modulating both the temperature and the extent of the confinement, we demonstrate the existence of a complex reentrant phase behavior, including isotropic liquid and liquid-crystal-like phases with different symmetries. We show how these changes impact the relative organization of the ions, with substantial modifications of the Coulombic ordering, and their dynamical state. In this respect, we reveal a remarkable decoupling of the dynamics of the counterions, pointing to very different roles played by these in charge transport under confinement. We finally discuss our findings in connection with very recent experimental and theoretical work.
机译：在现代技术中越来越多地采用在界面或限制在亚域孔中的离子液体，包括能源应用。因此，了解他们在这些条件下的行为的细节是至关重要的。通过使用分子动力学模拟，理论上，从理论上阐明了纳米级在离子液体的静态和动态性质上的限制效果。特别是，我们专注于离子的尺寸，狭缝孔宽度和与散装材料中存在的极性和非极光域的远程组织相关联的长度比的相互作用。通过调节禁闭的温度和程度，我们证明了具有不同对称性的各向同性液体和液晶样相的复合旋流相行为的存在。我们展示这些变化如何影响离子的相对组织，具有大量修改库仑排序及其动态状态。在这方面，我们揭示了抗衡离子动态的显着解耦，指向这些在限制下通过这些电荷运输中的非常不同的角色。我们最终讨论了与最近的实验和理论工作有关的调查结果。

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