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Microkinetics of Heterogeneous Catalysis and Rational Catalyst Design
State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China
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Abstract  Microkinetic study including microkinetic analysis and catalytic reaction synthesis has become an important approach to probe reaction mechanisms and to carry out catalyst screening in heterogeneous catalysis. Advances and applications in density functional theory have made it possible to describe the kinetics of complex reaction systems semi-quantitatively and to identify the optimal values of activity descriptors for catalytic reactions. On the basis of this information, catalytic reaction synthesis enables developing a multi-component catalyst with increased catalytic activity, improved selectivity, long-term stability, and low price over a wide range of catalytic materials. The combination of density functional theory and microkinetics opens up a new way for rational design of new catalysts.
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Articles by authors
Zhu Yi’an
Zhou Xinggui
Yuan Weikang
Key wordsmicrokinetic analysis      catalytic reaction synthesis      density functional theory      catalyst screening     
Received: 12 March 2014     
Cite this article:   
Zhu Yi’an,Zhou Xinggui,Yuan Weikang. Microkinetics of Heterogeneous Catalysis and Rational Catalyst Design[J]. 化学反应工程与工艺, 2014, 30(3): 205-211.
Zhu Yi’an,Zhou Xinggui,Yuan Weikang. Microkinetics of Heterogeneous Catalysis and Rational Catalyst Design[J]. 化学反应工程与工艺, 2014, 30(3): 205-211.
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/EN/     OR      /EN/Y2014/V30/I3/205

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