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Updated: Sep 9, 2026

07:31
Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies
Published on: September 1, 2023
Unsupervised molecular simulations identify CO2 microenvironment transitions governing gas separation in supported
Yi Song1, Longyu Shi1, Guohui Zhou1
1School of Chemistry and Chemical Engineering, Qingdao University, Qingdao, 266071, Shandong, China. liuxiaomin@qdu.edu.cn.
Abstract:
Unsupervised molecular simulations identify a rigidity gated microstate conversion mechanism in CO2/N2 separation by deep eutectic solvent (DES) supported liquid membranes. A rigid framework preserves continuous domains and promotes interface to membrane CO2 microstate conversion, whereas flexible framework collapse weakens this pathway and limits membrane transport state formation.
