Mechanistic Studies of Cobalt-Catalyzed Fischer-Tropsch Synthesis By a Combined Approach of DFT Calculations, Kinetic Isotope Effect and Kinetic Analysis

Qi, Yanying

Tuesday, June 16, 2015

Ballroom B (Lawrence Convention Center)

Yanying Qi¹, Jia Yang², Yi-an Zhu³, De Chen¹ and Anders Holmen¹, (1)Norwegian University of Science and Technology, Norway, (2)SINTEF Materials and Chemistry, Norway, (3)East China University of Science and Technology, China.

Fischer-Tropsch synthesis is a complex catalytic process to produce various hydrocarbons by converting simple inorganic molecules (CO and H₂). The mechanism of CO activation, methane formation and chain growth of cobalt-catalyzed Fischer-Tropsch synthesis is investigated by a novel combined approach of DFT calculations, kinetic isotope effect (KIE) and kinetic analysis

Extended Abstracts:

Abstract_NACS-YANYING.pdf (142.0KB) - Extended Abstract

P-Tu-B-131 Mechanistic Studies of Cobalt-Catalyzed Fischer-Tropsch Synthesis By a Combined Approach of DFT Calculations, Kinetic Isotope Effect and Kinetic Analysis