Ionic liquids (ILs) offer a wide range of promising applications because of their much enhanced properties. However, further development of such materials depends on the fundamental understanding of their hierarchical structures and behaviors, which requires multiscale strategies to provide coupling among various length scales. In this review, we first introduce the structures and properties of these typical ILs. Then, we introduce the multiscale modeling methods that have been applied to the ILs, covering from molecular scale (QM/MM), to mesoscale (CG, DPD), to macroscale (CFD for unit scale and thermodynamics COSMO-RS model and environmental assessment GD method for process scale). In the following section, we discuss in some detail their applications to the four scales of ILs, including molecular scale structures, mesoscale aggregates and dynamics, and unit scale reactor design and process design and optimization of typical IL applications. Finally, we address the concluding remarks of multiscale strategies in the understanding and predictive capabilities of ILs. The present review aims to summarize the recent advances in the fundamental and application understanding of ILs.

中文翻译：

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离子液体的多尺度研究

离子液体（ILs）由于其性能大大提高而提供了广泛的应用前景。但是，此类材料的进一步开发取决于对它们的层次结构和行为的基本了解，这需要多尺度策略来提供各种长度尺度之间的耦合。在本文中，我们首先介绍这些典型IL的结构和性质。然后，我们介绍已应用于IL的多尺度建模方法，涵盖从分子尺度（QM / MM），中尺度（CG，DPD）到宏观尺度（CFD的单位尺度和热力学COSMO-RS模型以及环境评估） GD方法用于过程规模）。在以下部分中，我们将详细讨论它们在IL的四个标度中的应用，包括分子标度结构，中尺度的聚集体和动力学，单元尺度的反应器设计和工艺设计以及典型IL应用的优化。最后，我们在IL的理解和预测能力中解决多尺度策略的结论。本综述旨在总结IL的基本原理和应用方面的最新进展。