Thermodynamics of glycerol hydrogenolysis to propanediols over supported copper clusters: Insights from first-principles study

Science China Chemistry

Volumn 56, Issue 6, 2013, Pages 763-772

  Guan, Jing ^a   Wang, Xicheng ^a   Wang, Xiaoyan ^a   Mu, Xindong ^a  

^a QINGDAO INSTITUTE OF BIOENERGY AND BIOPROCESS TECHNOLOGY   (China)

Author keywords

copper based catalysts; density functional calculations; glycerol hydrogenolysis; mechanism; propanediols

Indexed keywords

COMPETITIVE REACTIONS; COPPER-BASED CATALYSTS; FIRST-PRINCIPLES STUDY; GLYCEROL DEHYDRATIONS; GLYCEROL HYDROGENOLYSIS; PERIODIC DENSITY FUNCTIONAL THEORY; PROPANEDIOLS; REACTION CHANNELS;

CATALYSTS; COPPER; DENSITY FUNCTIONAL THEORY; DESIGN FOR TESTABILITY; EXPERIMENTS; GLYCEROL; HYDROGENATION; MECHANISMS; REACTION INTERMEDIATES; SYNTHESIS (CHEMICAL); THERMODYNAMICS;

CALCULATIONS;

EID: 84878788218     PISSN: 16747291     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11426-012-4828-y     Document Type: Article

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