《Proton Transport in [BMIM+][BF4-]/Water Mixtures Near the Percolation Threshold》 was published in Journal of Physical Chemistry B in 2020. These research results belong to Stoppelman, John P.; McDaniel, Jesse G.. Application of 174501-65-6 The article mentions the following:
The incorporation of ionic liquids into existing proton exchange membrane (PEM) materials has been shown to enhance thermal stability and improve conductivity at reduced water content. Because proton transport is dictated by an interplay between vehicular diffusion and the Grotthuss mechanism, it is expected that the nanoscale structure of the resulting ionic liquid/water networks will sensitively influence transport properties. In this work, we study proton transport in [BMIM+][BF4-]/water mixtures of systematically varying water volume fraction, focusing on concentrations near the percolation threshold in which water networks are connected over macroscopic length scales. We utilize reactive mol. dynamics within the multistate empirical valence bond (MS-EVB) framework to explicitly model Grotthuss hopping processes. Excellent agreement with exptl. conductivity data is obtained within the Nernst-Einstein approximation, indicating that proton transport proceeds in a largely uncorrelated manner even at pH <0. We addnl. study the changing topol. of the hydrogen-bonded water network in these mixtures using percolation and graph theory anal. We find that the proton diffusion coefficient and forward hop rate increase linearly with water content at concentrations ranging from dilute through the percolation threshold; surprisingly, we find no deviation in this trend at the percolation transition. The high concentration of BF4- anions inherently alters the fraction of Eigen and Zundel proton states, producing a net detrimental effect on proton transport rates relative to bulk water. This mechanistic insight is useful for selecting ideal ionic liquid candidates and determining the optimal ionic liquid concentration to incorporate into PEM materials. In addition to this study using 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate, there are many other studies that have used 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6Application of 174501-65-6) was used in this study.
3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6) is a member of lonic liquids. A multidisciplinary study on lonic liquids is emerging, including chemistry, materials science, chemical engineering, and environmental science. More specifically, some important fundamental viewpoints are now different from the original concepts, as insights into the nature of lonic liquids become deeper. For example, the physicochemical properties of lonic liquids are now recognized as ranging broadly from the oft quoted “nonvolatile, non-flammable, and air and water stable” to those that are distinctly volatile, flammable, and unstable. Application of 174501-65-6
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem