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Multiscale Studies on Ionic Liquids
Dong, Kun1; Liu, Xiaomin1; Dong, Haifeng1; Zhang, Xiangping1; Zhang, Suojiang1,2
Source PublicationCHEMICAL REVIEWS

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.

WOS HeadingsScience & Technology ; Physical Sciences
Indexed BySCI
WOS KeywordMolecular-dynamics Simulations ; Electrical Double-layer ; Alkyl Chain-length ; Sum-frequency Generation ; Temperature Molten-salts ; Diels-alder Reactions ; Heat-transfer Fluids ; Structure-property Relationships ; Environmental-impact Assessment ; Dissipative Particle Dynamics
WOS Research AreaChemistry
WOS SubjectChemistry, Multidisciplinary
Funding OrganizationNational Natural Science Foundation of China(91534116 ; National Key Projects for Fundamental Research and Development of China(2016YFB0600903) ; 91434203)
WOS IDWOS:000402498700002
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Document Type期刊论文
Affiliation1.Chinese Acad Sci, Beijing Key Lab Ion Liquids Clean Proc, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China
2.One North Second St, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
Dong, Kun,Liu, Xiaomin,Dong, Haifeng,et al. Multiscale Studies on Ionic Liquids[J]. CHEMICAL REVIEWS,2017,117(10):6636-6695.
APA Dong, Kun,Liu, Xiaomin,Dong, Haifeng,Zhang, Xiangping,&Zhang, Suojiang.(2017).Multiscale Studies on Ionic Liquids.CHEMICAL REVIEWS,117(10),6636-6695.
MLA Dong, Kun,et al."Multiscale Studies on Ionic Liquids".CHEMICAL REVIEWS 117.10(2017):6636-6695.
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