Capture of H2S from binary gas mixture by imidazolium-based ionic liquids with nonfluorous anions: A theoretical study

AIChE Journal

Volumn 59, Issue 10, 2013, Pages 3824-3833

  Chen, Jie Jie ^a   Li, Wen Wei ^a   Yu, Han Qing ^a   Li, Xue Liang ^b  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^b HEFEI UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Diffusion coefficient; Nonfluorous imidazolium ionic liquids (NIILs), H2S, quantum chemistry calculation, molecular dynamics simulation, topological characteristics, interaction energy, radial distribution function

Indexed keywords

ABSORPTION PROPERTY; IMIDAZOLIUM IONIC LIQUIDS; IMIDAZOLIUM-BASED IONIC LIQUID; INTERACTION GEOMETRIES; MICROSTRUCTURAL FEATURES; MOLECULAR DYNAMICS SIMULATIONS; OPTIMAL COMBINATION; QUANTUM CHEMISTRY CALCULATIONS;

DIFFUSION; GAS MIXTURES; HYDROGEN BONDS; MICROSTRUCTURAL EVOLUTION; MIXTURES; MOLECULAR DYNAMICS; NEGATIVE IONS; POSITIVE IONS; QUANTUM CHEMISTRY;

IONIC LIQUIDS;

EID: 84884377538     PISSN: 00011541     EISSN: 15475905     Source Type: Journal    
DOI: 10.1002/aic.14111     Document Type: Article

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