Measurement of the diffusion of multiple nuclei in restricted spaces by pulsed field gradient NMR

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 H-1, F-19, and Li-7 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. (C) 2021 Elsevier Inc. All rights reserved.