Light Alkane Upgrading Through Dehydrogenative C-N Coupling with NH3 over Bifunctional Metal/Zeolite Catalyst

The project addresses a new process and catalyst design for on-purpose conversion of ethane to the commodity chemical acetonitrile. Ethane (a low-value and catalytically refractive component of natural gas) is reacted with ammonia over a bifunctional metal/zeolite catalyst to produce acetonitrile in a process that potentially offers both environmental and economic benefits with respect to existing technology. The project focuses on fundamental aspects of the catalyst design and the reaction mechanism to enhance catalyst performance and durability. Beyond the technical aspects, the project features educational and outreach activities targeting underrepresented minorities in STEM disciplines.

This research will break ground for fundamental research for the direct ethane dehydrogenative C-N coupling with ammonia gas over bifunctional metal/zeolite catalysts. Specifically, the project targets catalyst structure/performance relationships and the fundamental understanding of the influence of metal functionality on C-H bond activation in the presence of ammonia. The project investigates the influence of cobalt (Co) and Platinum (Pt) metal sites on the Brønsted/Lewis acidity of the zeolite, in a catalyst design that would optimize metal/acid-site bifunctionality. Additionally, through the combination of operando DRIFT-MS and relaxation-type transient experiments, the project will identify the surface reaction intermediates as related to the kinetics and mechanism of the reaction over the tandem bifunctional metal/zeolite catalyst. The fundamental knowledge obtained from the project could be the basis for an efficient ammodehydrogenation catalyst design. With the support of this project, the PI will help address the problem of the loss of Mississippi’s STEM talent by recruiting and retaining promising chemical engineering students, especially from underrepresented groups. The investigator will work closely with various outreach programs at Mississippi State University. Students involved in this project will gain the skills to succeed in both industrial and academic career paths.

This project is jointly funded by the CBET Catalysis program and the Established Program to Stimulate Competitive Research (EPSCoR).

This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

Award Number: 2536372
Principal Investigator: Yizhi Xiang
Funds Obligated: $149,054
State: MO