Distribution and Transport of CO2 in Hyperbranched Poly(ethylenimine)-Loaded MCM-41: A Molecular Dynamics Simulation Approach

Fossil fuel use is accelerating climate change, driving the need for efficient CO2 capture technologies. Solid adsorption-based direct air capture (DAC) of CO2 has emerged as a promising mode for CO2 removal from the atmosphere due to its potential for scalability. Sorbents based on porous supports...

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Veröffentlicht in:	ACS applied materials & interfaces 2023-09, Vol.15 (37), p.43678-43690
Hauptverfasser:	Chen, Junhe, Moon, Hyun June, Kim, Kyung Il, Choi, Ji Il, Narayanan, Pavithra, Sakwa-Novak, Miles A., Jones, Christopher W., Jang, Seung Soon
Format:	Artikel
Sprache:	eng
Schlagworte:	CO2 capture Energy, Environmental, and Catalysis Applications force field hyperbranched poly(ethylenimine) INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY MCM-41 molecular dynamics simulation
Online-Zugang:	Volltext
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