TY - JOUR
T1 - Measurement of the diffusion of multiple nuclei in restricted spaces by pulsed field gradient NMR
AU - Takekawa, Reiji
AU - Kawamura, Junichi
N1 - Funding Information:
This paper is based on results obtained from a project, JPNP16001, commissioned by the New Energy and Industrial Technology Development Organization (NEDO).
Publisher Copyright:
© 2021 Elsevier Inc.
PY - 2021/5
Y1 - 2021/5
N2 - In this study, the restricted diffusion of a solvent, anion, and cation in an electrolyte solution was measured by pulsed field gradient (PFG) NMR for 1H, 19F, and 7Li nuclei. Further, the time dependences of the diffusion coefficients were measured for a 1 M LiPF6 electrolyte solution in porous polyethylene, which has pores with sizes of tens of micrometers. The decreasing ratio of the diffusion coefficients of the solvent, cation, and anion based on the diffusion time can be scaled similarly for each diffusion distance. The experimentally obtained time dependences of the diffusion coefficients of the solvent, anion, and cation agreed with the results of the analytical equation with the same structural parameters. Furthermore, the abovementioned experimental results were produced via Monte Carlo simulation in the same model-restricted structure for the solvent, anion, and cation. Based on PFG-NMR, it can be concluded that the solvent, anion, and cation exhibit the same restricted diffusion behavior in polyethylene pores measuring tens of micrometers. It was confirmed that measuring the time dependences of the diffusion coefficients via PFG-NMR with multiple nuclei is effective for studying the diffusion mechanisms of electrolyte solutions in restricted spaces.
AB - In this study, the restricted diffusion of a solvent, anion, and cation in an electrolyte solution was measured by pulsed field gradient (PFG) NMR for 1H, 19F, and 7Li nuclei. Further, the time dependences of the diffusion coefficients were measured for a 1 M LiPF6 electrolyte solution in porous polyethylene, which has pores with sizes of tens of micrometers. The decreasing ratio of the diffusion coefficients of the solvent, cation, and anion based on the diffusion time can be scaled similarly for each diffusion distance. The experimentally obtained time dependences of the diffusion coefficients of the solvent, anion, and cation agreed with the results of the analytical equation with the same structural parameters. Furthermore, the abovementioned experimental results were produced via Monte Carlo simulation in the same model-restricted structure for the solvent, anion, and cation. Based on PFG-NMR, it can be concluded that the solvent, anion, and cation exhibit the same restricted diffusion behavior in polyethylene pores measuring tens of micrometers. It was confirmed that measuring the time dependences of the diffusion coefficients via PFG-NMR with multiple nuclei is effective for studying the diffusion mechanisms of electrolyte solutions in restricted spaces.
KW - Diffusion of ions
KW - Electrolyte
KW - Pulsed field gradient NMR
KW - Restricted diffusion
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U2 - 10.1016/j.jmr.2021.106958
DO - 10.1016/j.jmr.2021.106958
M3 - Article
C2 - 33721586
AN - SCOPUS:85102376465
SN - 1090-7807
VL - 326
JO - Journal of Magnetic Resonance
JF - Journal of Magnetic Resonance
M1 - 106958
ER -