ТЕОРЕТИЧЕСКИЙ ОБЗОР ПЕРЕНОСА ПРОТОНОВ В КОМПОЗИТНЫХ МЕМБРАНАХ MOF-5/ПОЛИМЕР/ГЛУБОКОЭВТЕКТИЧЕСКИЙ РАСТВОРИТЕЛЬ: ВЗАИМОСВЯЗЬ СТРУКТУРЫ И СВОЙСТВ

Abstract

Proton-exchange membranes (PEMs) play a crucial role in the operation of fuel cells; however, their performance is often limited by strong hydration dependence, reduced proton conductivity at elevated temperatures, and decreased stability under low-humidity conditions. This paper presents a theoretical review and literature analysis of proton transport in MOF-5/polymer/deep eutectic solvent (DES) composite systems. Particular attention is given to published studies employing density functional theory (DFT) and molecular dynamics (MD) methods to explain the electronic, structural, and dynamic factors governing proton transport.

Analysis of the reported literature data indicates that the incorporation of DES into MOF–polymer membranes may promote charge redistribution, formation of extended hydrogen-bond networks, and reduction of proton-transfer energy barriers. At the molecular level, DES is considered a functional medium capable of supporting dynamic hydrogen-bonded transport channels, while MOF-5 provides nanoscale confinement and may direct proton carrier migration within the porous structure.

Thus, the generalization of published literature data allows the establishment of relationships between structural organization, interfacial interactions, and proton conductivity in MOF–polymer–DES composite membranes. The reviewed approaches may serve as a basis for the rational design of next-generation proton-exchange membranes with improved transport and operational properties.