Percolation Phase Transition from Ionic Liquids to Ionic Liquid Crystals

Percolation Phase Transition from Ionic Liquids to Ionic Liquid Crystals
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从离子液体到离子液晶的渗流相变

DOI:
10.1038/s41598-019-49493-3
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发表时间:
2018-08
期刊:
影响因子:
4.6
通讯作者:
Yanting Wang
Yanting Wang
中科院分区:
综合性期刊3区
文献类型:
--
作者:
Shen Li;Yanting Wang

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Due to their complex molecular structures and interactions, phase behaviors of complex fluids are quite often difficult to be identified by common phase transition analysis methods. Percolation phase transition, on the other hand, only monitors the degree of connection among particles without strict geometric requirements such as translational or orientational order, and thus suitable for pinpointing phase transitions of complex fluids. As typical complex fluids, ionic liquids (ILs) exhibit phases beyond the description of simple liquid theories. In particular, with an intermediate cationic side-chain length, ILs can form the nanoscale segregated liquid (NSL) state, which will eventually transform into the ionic liquid crystal (ILC) structure when the side chains are adequately long. However, the microscopic mechanism of this transformation is still unclear. In this work, by means of coarse-grained molecular dynamics simulation, we show that, with increasing cationic side-chain length, some local pieces of non-polar domains are gradually formed by side chains aligned in parallel inside the NSL phase, before an abrupt percolation phase transition happens when the system transforms into the ILC phase. This work not only identifies that the NSL to ILC phase transition is a critical phenomenon, but also demonstrates the importance of percolation theory to complex fluids.
DOI: 10.1021/jp066481b
发表时间: 2007-01
期刊: The journal of physical chemistry. B
影响因子: --
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