Study on the effects of acetylene on an Au-Cu/C catalyst for acetylene hydrochlorination using Monte Carlo and DFT methods

Reaction Kinetics, Mechanisms and Catalysis

Volumn 110, Issue 1, 2013, Pages 177-186

  Ma, Junmei ^a   Wang, Shengjie ^b   Shen, Benxian ^b  

^a SHANGHAI UNIVERSITY OF FINANCE AND ECONOMICS   (China)

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

Author keywords

Acetylene hydrochlorination; Au Cu C catalyst; DFT method; Monte Carlo

Indexed keywords

ACETYLENE HYDROCHLORINATION; ACTIVE SPECIES; CARBON DEPOSITION; DFT CALCULATION; DFT METHOD; EXCESS HYDROGEN; HYDROCHLORINATION; VINYL CHLORIDES;

CATALYST DEACTIVATION; CHLORINE COMPOUNDS; LIGHTING; MONTE CARLO METHODS;

ACETYLENE;

EID: 84893014477     PISSN: 18785190     EISSN: 18785204     Source Type: Journal    
DOI: 10.1007/s11144-013-0583-0     Document Type: Article

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