Molecular dynamics simulation of desulfurization by ionic liquids

AIChE Journal

Volumn 56, Issue 11, 2010, Pages 2983-2996

  Liu, Xiaomin ^a   Zhou, Guohui ^b   Zhang, Xiangping ^a   Zhang, Suojiang ^a  

^a INSTITUTE OF PROCESS ENGINEERING   (China)

^b Beijing Shengjinqiao Information Technology Co Ltd   (China)

Author keywords

Desulphurization; Extractant; Ionic liquids; Molecular dynamics

Indexed keywords

ALL-ATOM FORCE FIELD; DESULPHURIZATION; DESULPHURIZATION MECHANISM; DIBENZOTHIOPHENES; EXCELLENT PERFORMANCE; EXPERIMENTAL VALUES; EXTRACTANTS; HYDROGEN ATOMS; IMIDAZOLIUM RING; MODEL COMPOUND; MOLECULAR DYNAMIC SIMULATIONS; MOLECULAR DYNAMICS SIMULATIONS; OPERATING CONDITION; OXYGEN ATOM; SULFUR ATOMS; SULFUR CONTENTS;

ATOMS; COMPUTER SIMULATION; DESULFURIZATION; DYNAMICS; IONS; MOLECULAR DYNAMICS; OXYGEN; SULFUR; SULFUR COMPOUNDS;

IONIC LIQUIDS;

EID: 78650301215     PISSN: 00011541     EISSN: 15475905     Source Type: Journal    
DOI: 10.1002/aic.12185     Document Type: Article

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