Pathway for Water Transport through Breathable Nanocomposite Membranes of PEBAX with Ionic Liquid [C12C1im]Cl

Water transport through membranes is an attractive topic among the research dedicated to dehydration processes, microenvironment regulation, or more simply, recovery of freshwater. Herein, atomistic computer simulation proposed provide new insights about a water vapor mechanism PEBAX filled with ionic liquid (IL) [C12C1im]Cl. Starting from experimental evidence that indicates effective increase in permeation as IL added polymer matrix (e.g., up 85·10−3 (g·m)/(m2·day) at 318.15 K for PEBAX@2533 loaded 70% IL), molecular dynamics simulations are explore key role inside membranes. The polar region composed anions and cationic head groups demonstrated serve pathway membrane. molecules always stay near pathway, which becomes wider thus has larger water-accessible area increasing concentration. Hence, diffusion coefficients ions concentration increases. provides useful indications microscopic regulates kind PEBAX/IL membrane, resulting full agreement evidence.