Abstract
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,…
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Authors
5Topics & keywords
Topics
Keywords
- Multiscale modeling
- Mesoscale meteorology
- Scale (ratio)
- Ionic liquid
- Process (computing)
- Nanotechnology
- Biochemical engineering
- Chemistry
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