Microkinetic modeling of CO2 hydrolysis over Zn-(1,4,7,10-tetraazacyclododecane) catalyst based on first principles: Revelation of rate-determining step

Journal of Catalysis

Volumn 317, Issue , 2014, Pages 176-184

  Ma, Renhu ^a   Schuette, George F ^b   Broadbelt, Linda J ^a  

^a Northwestern University   (United States)

^b Phillips 66 Co   (United States)

Author keywords

Biomimetic catalysis; Carbon dioxide hydrolysis; Density functional theory; Kinetic analysis; Microkinetic modeling

Indexed keywords

ADSORPTION; BIOMIMETICS; CATALYSTS; DENSITY FUNCTIONAL THEORY; HYDROLYSIS; KINETICS; QUANTUM CHEMISTRY; RATE CONSTANTS; THERMODYNAMICS; ZINC;

1 ,4 ,7 ,10-TETRAAZACYCLODODECANE; BIOMIMETIC CATALYSIS; EXPERIMENTAL VALUES; HUMAN CARBONIC ANHYDRASES; KINETIC ANALYSIS; KINETICS AND THERMODYNAMICS; MICROKINETIC MODELING; RATE DETERMINING STEP;

CARBON DIOXIDE;

EID: 84904300072     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2014.06.001     Document Type: Article

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