AI Article Synopsis
- The study investigates how different compositions of the ionic liquid [Omim][BF4] mixed with water affect dynamic properties, focusing on dynamic susceptibilities and heterogeneity.
- Adding water to the ionic liquid speeds up the dynamic heterogeneity (DH) time scales, while also softening the four-point dynamic susceptibility time scale.
- The results provide a better understanding of the microscopic behaviors observed in experiments, with findings indicating that water's dynamic correlation length is influenced by the ionic liquid, while ion behaviors are less affected by composition changes.
Article Abstract
Composition dependence of four-point dynamic susceptibilities, overlap functions, and other dynamic heterogeneity (DH) parameters have been investigated by using all-atom molecular dynamics simulations for aqueous solutions of the ionic liquid (IL), 1-octyl-3-methyl imidazolium tetrafluoroborate ([Omim][BF4]) covering the pure-to-pure range. Upon addition of water in the IL, the DH time scales become faster and the four-point dynamic susceptibility time scale softens. Evidences for jump motions for both water and ions have been found from the simulated single particle displacements that show strong deviation from Gaussian distribution. Estimated dynamic correlation length for water reflects effects of IL, whereas those for ions remain largely insensitive to the mixture composition. Simulated structural aspects and DH time scales provide microscopic explanations to the existing experimental observations from time-resolved fluorescence and Kerr spectroscopic measurements.
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| http://dx.doi.org/10.1021/acs.jpcb.5b08763 | DOI Listing |
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