Abstract
Deep eutectic solvent (DES) represent a type of environmentally friendly solvent frequently employed in the carbon capture process of two dimensional (2D) materials. The utilization of DES for CO2 separation is frequently influenced by its hydrogen bond donor − acceptor (HBD-HBA) ratio and environmental conditions, as evidenced by molecular dynamics simulations. Ultimately, these effects will manifest as microscopic alterations in the membrane's structure. The results indicate that the optimal choline chloride and ethylene glycol (ChCl/EG) molar ratio for achieving the most effective separation remains consistent at 1:6, regardless of whether the environment is high-pressure or low-pressure. Additionally, maintaining a moderate humidity environment can enhance the separation selectivity and permeability at various loading ratios of DES. The gas–liquid accumulation phenomenon is commonly observed in the initial stages of separation processes, posing a challenge to enhancing permeability. This study elucidates the gas separation transport mechanism, offering a viable approach to regulate separation efficiency and advance the development of 2D materials.
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