Coupling between the mesoscopic dynamics and shear stress of a room-temperature ionic liquid

Literature Information

Publication Date 2018-06-07
DOI 10.1039/C8CP02814A
Impact Factor 3.676
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Abstract

Molecular dynamics (MD) simulation is performed on two imidazolium-based ionic liquids, one of which possesses a long alkyl chain whereas the other does not, and the coupling between the liquid structure and the shear stress is examined by means of cross-correlation analysis. The former liquid exhibits a prepeak representing the polar–nonpolar domain structure whereas the latter does not. The relaxation of the intermediate scattering function at the prepeak is slower than those of other microscopic structures. Nonetheless, the principal part of the viscoelastic relaxation is ascribed to the relaxation of the charge-alternation mode in both liquids. In particular, the dynamics of the domain structure hardly seems to affect the viscosity of the ionic liquid with a long alkyl chain, although the cross correlation between the shear stress and the domain mode exists and the relaxation of the cross correlation with the domain mode is far slower than that with the charge alternation mode. The absence of the domain dynamics in the viscoelastic relaxation is ascribed to the decoupling between the relaxations of the short- and the long-range structures.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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