Molecular insights into the CO2 absorption mechanism by superbase protic ionic liquids by a combined density functional theory and molecular dynamics approach

Author:

Zhang Qi,Bahamon DanielORCID,Alkhatib Ismail I.I.ORCID,Zhang Rui,Liu Zhichang,Liu Haiyan,Xu Chunming,Vega Lourdes F.ORCID,Meng XianghaiORCID

Funder

Harbin University of Science and Technology

Khalifa University of Science, Technology and Research

China Scholarship Council

National Natural Science Foundation of China

Publisher

Elsevier BV

Subject

Materials Chemistry,Physical and Theoretical Chemistry,Spectroscopy,Condensed Matter Physics,Atomic and Molecular Physics, and Optics,Electronic, Optical and Magnetic Materials

Reference97 articles.

1. Advances in applications of ionic liquids for phase change CO2 capture;Jiang;Chem. Eng. J.,2022

2. CO2 capture intensified by solvents with metal hydride;Zhou;Fuel Process. Technol.,2021

3. A systematic review on CO2 capture with ionic liquids: current status and future prospects;Aghaie;Renew. Sustain. Energy Rev.,2018

4. Assessment of low global warming potential refrigerants for drop-in replacement by connecting their molecular features to their performance;Alba;ACS Sustain. Chem. Eng.,2021

5. High CO2 absorption capacity of metal-based ionic liquids: a molecular dynamics study, Green;Li;Energy Environ.,2021

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