Dynamical Susceptibilities of Confined Water from Room Temperature to the Glass Transition

Steinrücken, Elisa; Weigler, Max; Schiller, Verena; Vogel, Michael

doi:10.1021/acs.jpclett.3c00580

Cited by 5 publications

(4 citation statements)

References 89 publications

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“…While the former stays insensitive to the water content, the latter becomes markedly slower after evaporation of 5.8 wt % H 2 O; however, its activation energy E a does not change. Notably, E a of the ν mode detected in the examined IL–H 2 O mixture is comparable to activation energy determined for pure water under nanoconfinement . Consequently, τ ν can be considered to be the accurate fingerprint of water dynamics.…”

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confidence: 60%

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Dynamics of Water Clusters Confined in Ionic Liquid at an Elevated Pressure

Kumar Murali,

Paluch,

Casalini

et al. 2024

J. Phys. Chem. Lett.

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Over the years, numerous experimental and theoretical efforts have been dedicated to investigating the mysteries of water and determining its new unexplored physical properties. Despite this, high-pressure studies of water and aqueous mixtures close to the glass transition still represent an unknown area of research. Herein, we address a fundamental issue: the validity of the density scaling concept for fast water dynamics. For this purpose, we performed ambient and high-pressure dielectric measurements of a supercooled equimolar aqueous mixture of an acidic ionic liquid. All isothermal and isobaric relaxation data describing the time scale of charge transport (τσ) and fast dynamics within the water clusters (τν) reveal visual evidence of a liquid–glass transition. Furthermore, both relaxation processes satisfy the ργ/T scaling concept with a single exponent γ = 0.58. Thus, the scaling exponent is a state-point-independent parameter for the dynamics of water clusters confined in ionic liquid investigated in the pressure range up to 300 MPa.

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confidence: 60%

“…Notably, E a of the ν mode detected in the examined IL–H 2 O mixture is comparable to activation energy determined for pure water under nanoconfinement. 36 Consequently, τ ν can be considered to be the accurate fingerprint of water dynamics. Another exciting feature of ν relaxation is its sensitivity to the glass transition of the entire mixture.…”

mentioning

confidence: 99%

Dynamics of Water Clusters Confined in Ionic Liquid at an Elevated Pressure

Kumar Murali,

Paluch,

Casalini

et al. 2024

J. Phys. Chem. Lett.

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“…Other studies employed very narrow confinements with diameters of d ≈ 2 nm to fully suppress crystallization of water [53,56,57]. In these cases, a combination of 2 H SLR and STE studies provided access to the slowdown of water reorientation when approaching a glass transition.…”

Section: Water and Ion Dynamicsmentioning

confidence: 99%

“…To characterize the reorientation of confined molecules, 2 H NMR studies of deuterated compounds proved to be a powerful tool [50][51][52]. In particular, when combining 2 H spin-lattice relaxation (SLR) analysis, including 2 H field-cycling relaxometry [53,54], with 2 H stimulated-echo experiments (STE), it was possible to follow MD over a broad range of correlations times [55][56][57], τ ≈ 10 −11 -10 0 s. Furthermore, NMR experiments in magnetic field gradients enabled measurements of self-diffusion coefficients [23]. In these approaches, it was advantageous to use a static field gradient (SFG) rather than a pulsed one [58,59].…”

Section: Introductionmentioning

confidence: 99%

Structures and Dynamics of Complex Guest Molecules in Confinement, Revealed by Solid-State NMR, Molecular Dynamics, and Calorimetry

Haro Mares,

Döller,

Wissel

et al. 2024

Molecules

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This review gives an overview of current trends in the investigation of confined molecules such as water, small and higher alcohols, carbonic acids, ethylene glycol, and non-ionic surfactants, such as polyethylene glycol or Triton-X, as guest molecules in neat and functionalized mesoporous silica materials employing solid-state NMR spectroscopy, supported by calorimetry and molecular dynamics simulations. The combination of steric interactions, hydrogen bonds, and hydrophobic and hydrophilic interactions results in a fascinating phase behavior in the confinement. Combining solid-state NMR and relaxometry, DNP hyperpolarization, molecular dynamics simulations, and general physicochemical techniques, it is possible to monitor these confined molecules and gain deep insights into this phase behavior and the underlying molecular arrangements. In many cases, the competition between hydrogen bonding and electrostatic interactions between polar and non-polar moieties of the guests and the host leads to the formation of ordered structures, despite the cramped surroundings inside the pores.

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Universal properties of relaxation and diffusion in complex materials: Originating from fundamental physics with rich applications

Ngai

2023

Progress in Materials Science

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Dynamical Susceptibilities of Confined Water from Room Temperature to the Glass Transition

Cited by 5 publications

References 89 publications

Dynamics of Water Clusters Confined in Ionic Liquid at an Elevated Pressure

Dynamics of Water Clusters Confined in Ionic Liquid at an Elevated Pressure

Structures and Dynamics of Complex Guest Molecules in Confinement, Revealed by Solid-State NMR, Molecular Dynamics, and Calorimetry

Universal properties of relaxation and diffusion in complex materials: Originating from fundamental physics with rich applications

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