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Multiscale Studies on Ionic Liquids
Dong, Kun1; Liu, Xiaomin1; Dong, Haifeng1; Zhang, Xiangping1; Zhang, Suojiang1,2
2017-05-24
发表期刊CHEMICAL REVIEWS
ISSN0009-2665
卷号117期号:10页码:6636-6695
摘要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.
文章类型Review
WOS标题词Science & Technology ; Physical Sciences
DOI10.1021/acs.chemrev.6b00776
收录类别SCI
语种英语
关键词[WOS]MOLECULAR-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研究方向Chemistry
WOS类目Chemistry, Multidisciplinary
项目资助者National Natural Science Foundation of China(91534116 ; National Key Projects for Fundamental Research and Development of China(2016YFB0600903) ; 91434203)
WOS记录号WOS:000402498700002
引用统计
文献类型期刊论文
条目标识符http://ir.ipe.ac.cn/handle/122111/22619
专题多相复杂系统国家重点实验室
作者单位1.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
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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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