A DFT Study On the Mechanism of the Selective Oxidation of Ethane over K/SBA-15 Catalyst

Wang, Daxi

Tuesday, June 4, 2013

Ballroom C (Galt House Hotel)

Daxi Wang, Bing Liu, Zhongxue Wang and Zhen Zhao, China University of Petroleum, China.

The selective oxidation of ethane over K/SBA-15 were systematically studied by density function theory.The energetically favored pathways for the formation of ethylene, formaldehyde, acetaldehyde, and acrolein were proposed.Our results provide a new insight in to the selective oxidation of ethane.

Extended Abstracts:

A DFT study on the mechanism of the selective oxidation of ethane over KSBA-15 catalyst.pdf (55.1KB) - Extended Abstract

P-Tu-BRC-45 A DFT Study On the Mechanism of the Selective Oxidation of Ethane over K/SBA-15 Catalyst