Structure, interaction and property of amino-functionalized imidazolium ILs by molecular dynamics simulation and ab initio calculation

AIChE Journal

Volumn 53, Issue 12, 2007, Pages 3210-3221

  Yu, Guangren ^a,b   Zhang, Suojiang ^a   Zhou, Guohui ^a   Liu, Xiaomin ^a   Chen, Xiaochun ^b  

^a INSTITUTE OF PROCESS ENGINEERING   (China)

^b BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

Author keywords

Ab initio calculation; Interaction; Ionic liquids; Molecular dynamics simulation; Structure; Viscosity

Indexed keywords

COMPUTER SIMULATION; HYDROGEN BONDS; IONIC LIQUIDS; MICROSTRUCTURE; NEGATIVE IONS; SEPARATION; SOLVENTS; VISCOSITY;

ELECTROPHILE SEPARATION; IMIDAZOLIUM IONIC LIQUIDS; INTERIONIC INTERACTION;

AMINO ACIDS;

AMINO ACIDS; COMPUTER SIMULATION; HYDROGEN BONDS; IONIC LIQUIDS; MICROSTRUCTURE; NEGATIVE IONS; SEPARATION; SOLVENTS; VISCOSITY;

EID: 37749039601     PISSN: 00011541     EISSN: 15475905     Source Type: Journal    
DOI: 10.1002/aic.11339     Document Type: Article

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