On the CO2 capture in water-free monoethanolamine solution: An ab initio molecular dynamics study

Journal of Physical Chemistry B

Volumn 117, Issue 19, 2013, Pages 5971-5977

  Han, Bo ^a,b   Sun, Yubao ^a   Fan, Maohong ^c   Cheng, Hansong ^a,b  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^b CHINA UNIVERSITY OF GEOSCIENCES   (China)

^c UNIVERSITY OF WYOMING   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY OF LIQUIDS; DIFFUSION; ETHANOLAMINES; LIQUIDS; LOADING; MOLECULAR DYNAMICS; MOLECULES; POWER SPECTRUM; SORPTION;

AB INITIO MOLECULAR DYNAMICS; EXPERIMENTAL VALUES; HEAT OF SORPTION; INFRARED SPECTRUM; MONOETHANOLAMINE; POST-COMBUSTION CO; QUANTITATIVE AGREEMENT; SIMULATION STUDIES;

CARBON DIOXIDE;

EID: 84878072727     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp4022932     Document Type: Article

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