Microkinetics of heterogeneous catalysis and rational catalyst design

作者：Zhu Y; Zhou X^*; Yuan W

来源：Chemical Reaction Engineering and Technology, 2014, 30(3): 205-211.

• Catalyst screening
• Catalytic reaction synthesis
• Density functional theory
• Microkinetic analysis

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.

• 出版日期2014
• 单位华东理工大学