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Hydrogen Bond Networks of Glycol Molecules on ZIF‑8 Surfaces as Semipermeable Films for Efficient Carbon Capture
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posted on 2017-10-24, 00:00 authored by Jing Li, Bei Liu, Xianren Zhang, Dapeng Cao, Guangjin ChenEfficient
carbon capture is an essential step in many energy-related
processes. Here, we use molecular dynamics simulations and free energy
analysis to investigate the inherent implication of the ZIF-8/glycol
slurry based adsorption and absorption hybrid technique for carbon
capture. Our results reveal that the formation of two-layer ordered
hydrogen bond (HB) networks of glycol molecules on the ZIF-8 surface
is the physical origin of the high efficiency of using ZIF-8/glycol
slurry for carbon capture. It is found that the film composed of two-layer
HB networks acts as a selective gatekeeper, allowing the penetration
of CO2 molecules but efficiently blocking CH4. The interaction between the HB-forming solvent and ZIF-8 is the
key to the formation of the semipermeable film, while the solute–solvent
interaction is essential for film crossing. Finally, we discuss the
basis for the design of highly efficient nanopore/slurry system for
filtering and separation technologies. The uncovered mechanism for
the hybrid technique opens up an exciting strategy for highly efficient
CO2 separation.
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CO 2 moleculesZIF -8 surfaceEfficient Carbon Capture Efficient carbonsemipermeable filmHydrogen Bond Networkstechniquehydrogen bondGlycol MoleculesCO 2 separationslurryZIF -8interactionformationenergy analysistwo-layer HB networks actsSemipermeable FilmsCH 4energy-related processesseparation technologiesdynamics simulationsglycol molecules
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