Mechanism for alternating copolymerization of CO2 and propylene oxide in diethylzinc-water catalytic system: A DFT study

Journal of CO2 Utilization

Volumn 2, Issue , 2013, Pages 39-48

  Pan, Xing ^a   Liu, Zhen ^a   Cheng, Ruihua ^a   Yang, Yun ^a   Zhong, Lei ^a   He, Xuelian ^a   Liu, Boping ^a  

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

Author keywords

Alternating copolymerization mechanism; Density functional theory calculations; Propylene oxide

Indexed keywords

CARBON DIOXIDE; CARBONATION; DENSITY FUNCTIONAL THEORY; ENERGY BARRIERS; FREE ENERGY; GIBBS FREE ENERGY; PROPYLENE; WATERWORKS; ZINC; ZINC COMPOUNDS; ZINC OXIDE;

ALTERNATING COPOLYMERIZATION; CATALYTIC SYSTEM; CYCLIC PROPYLENE CARBONATE; PROPYLENE OXIDE; RATE DETERMINING STEP; REACTION ENERGY BARRIERS; REACTION PATHWAYS; REVERSE REACTIONS;

COPOLYMERIZATION;

EID: 84885087183     PISSN: 22129820     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jcou.2013.07.004     Document Type: Article

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