Weak polymer–electrolyte interaction revealed by Fermi resonance perturbed Raman bands

Ostrovskii, Denis; Edvardsson, Magnus; Jacobsson, Per

doi:10.1002/jrs.937

Cited by 20 publications

(13 citation statements)

References 26 publications

(19 reference statements)

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“…Fermi resonance perturbed Raman spectroscopy reveals there exists weak polymer-electrolyte interaction between poly-(MMA) and the solvent molecules, ethylene and propylene carbonate. [64] Ab initio molecular orbital calculations confirm that the hydrogen bonding hydration of the ionwater clusters to the polymers is destabilized by anions and stabilized by cations via ionic hydration in most cases. [65,66] The hydrogel volume transition is accounted for on the basis of electron-pair acceptance and electron pair donation change of water through ionic hydration.…”

Section: Molecular Simulationmentioning

confidence: 77%

Modeling Investigation of Hydrogel Volume Transition

Chen

et al. 2004

Macro Theory & Simulations

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Summary: This paper provides an overview of the latest development in modeling and simulation of volume transition behaviors of hydrogels with models at both macroscopic and molecular levels. Energy conservation law, mass conservation law and momentum conservation law provide good starting points for developing models for hydrogel volume transition. Thermodynamic models, transport models, multiphasic mixture theory and molecular simulation are discussed. Thermodynamic models provide qualitative description of equilibrium volume transition of hydrogels. Both transport models and multiphasic mixture theory can predict transient and equilibrium volume transition of hydrogels. Molecular simulation provides mechanistic understanding of hydrogel volume transition. Several key parameters are summarized for future model development.

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Section: Molecular Simulationmentioning

confidence: 77%

Modeling Investigation of Hydrogel Volume Transition

Chen

et al. 2004

Macro Theory & Simulations

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“…The cyclic carbonate functionality can be identified at 714 cm –1 in the ungelled polymer (black line). However, the peak at 718 cm –1 in the polymer–solvent mixture (Figure , blue line), which can be assigned to the skeletal bending mode of EC , is superimposing the investigated signal of the polymer matrix. Because of the overlapping of the two signals, it is not possible to identify the role of the cyclic carbonate group of the polymer matrix regarding lithium-ion solvation in the gel polymer electrolyte.…”

Section: Resultsmentioning

confidence: 96%

“…Interactions of interest involve those of the solvent-salt subsystem and, in particular, the diverse interactions between the polymer matrix and the electrolytic solvents as well as the conducting salt. In recent years, Raman and NMR spectroscopy represented the techniques of choice to study lithium-ion complexation in various polymer electrolyte systems. − Additionally, pulsed field gradient (PFG)-NMR experiments were chosen by a number of researchers to determine the effect of the lithium-ion solvation on the ionic diffusivity in polymer based systems. − …”

Section: Introductionmentioning

confidence: 99%

Lithium Coordination in Cyclic-Carbonate-Based Gel Polymer Electrolyte

Tillmann¹,

Isken²,

Lex‐Balducci³

2015

J. Phys. Chem. C

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A gel polymer electrolyte based on a polymer host comprising cyclic carbonate and ethylene oxide (EO) moieties in the side chains and the liquid electrolyte 1 M LiPF 6 in ethylene carbonate (EC):dimethyl carbonate (DMC) 1:1 is studied regarding ionic and intermolecular interactions. Raman and NMR spectroscopic studies reveal that apart from the solvents of the liquid electrolyte also the polymer host is interacting with lithium ions. However, these interactions seem to be limited to the EO side chains. No evidence was found for an involvement of the cyclic carbonate moieties in the coordination of lithium ions. To evaluate the effect of the interactions between the lithium ions and the polymer network on the lithium-ion transport properties in the gel polymer electrolyte self-diffusion coefficients of the solvents, cation and anion were determined by pulsed field gradient (PFG)-NMR spectroscopy.

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“…[8][9][10][11][12][13][14][15][16][17][18][19][20][21][22][23] In addition, spectroscopic studies have shown that this gel electrolyte is characterized by weak interactions between the solvent and the polymer matrix. The system we chose to study here, PMMA/ EC/ PC/ LiClO 4 , has the advantage that it has previously been investigated by various techniques.…”

Section: The Gel Electrolytementioning

confidence: 99%

Diffusive solvent dynamics in a polymer gel electrolyte studied by quasielastic neutron scattering

Andersson

Engberg

Swenson

et al. 2005

The Journal of Chemical Physics

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A quasielastic neutron scattering study has been performed on a polymer gel electrolyte consisting of lithium perchlorate dissolved in ethylene carbonate/propylene carbonate and stabilized with poly(methyl methacrylate). The dynamics of the solvent, which is crucial for the ion conduction in this system, was probed using the hydrogen/deuterium contrast variation method with nondeuterated solvent and a deuterated polymer matrix. Two relaxation processes of the solvent were studied in the 10-400 microeV range at different temperatures. From analysis of the momentum transfer dependence of the processes we conclude that the faster process ( approximately 100 microeV) is related to rotational diffusion of the solvent and the slower process ( approximately 10 microeV) to translational diffusion of the solvent. The translational diffusion is found to be similar to the diffusion in the corresponding liquid electrolyte at short distances, but geometrically constrained by the polymer matrix at distances beyond approximately 5 A. The study indicates that the hindered diffusion of the solvent on a length scale of the polymer network interchain distance ( approximately 5-20 A) is sufficient to explain the reduced macroscopic diffusivity and ion conductivity of the gel electrolyte compared to the liquid electrolyte.

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Weak polymer–electrolyte interaction revealed by Fermi resonance perturbed Raman bands

Cited by 20 publications

References 26 publications

Modeling Investigation of Hydrogel Volume Transition

Modeling Investigation of Hydrogel Volume Transition

Lithium Coordination in Cyclic-Carbonate-Based Gel Polymer Electrolyte

Diffusive solvent dynamics in a polymer gel electrolyte studied by quasielastic neutron scattering

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