The role of structures and reaction pathways in Co-Mo-S type nanocrystals used for the production of ultraclean transportation fuels

FUEL 192

Henrik Topsøe, het@topsoe.dk1, Berit Hinnemann, behi@topsoe.dk2, Poul G. Moses, pgmoses@fysik.dtu.dk3, J Lauritsen4, Jakob Kibsgaard4, F Besenbacher5, Nan-Yu Topsøe6, S Helveg, sth@topsoe.dk7, M. Brorson, mib@topsoe.dk7, Jens K. Nørskov, norskov@fysik.dtu.dk3, and KG. Knudsen, kik@topsoe.dk1. (1) Haldor Topsøe A/S, Nymøllevej 55, DK-2800 Kgs, Lyngby, Denmark, (2) Present address: Haldor Topsøe A/S, Nymøllevej 55, Lyngby, DK-2800, Denmark, (3) Center for Atomic-scale Materials Design, Technical University of Denmark, Department of Physics, Building 307, Kgs Lyngby, 2800, Denmark, (4) CAMP and Institute of Physics and Astronomy, University of Aarhus, DK-8000, Aarhus C, Denmark, (5) iNANO, Department of Physics and Astronomy, University of Aarhus, Denmark, Ny Munkegade, building 1521, Aarhus, DK-8000, Denmark, (6) Haldor Topsøe S/A, Lyngby, DK-2800, Denmark, (7) Haldor Topsoe Research Laboratories, Denmark, Denmark
Hydrodesulfurization (HDS) is one of the key processes for producing Ultraclean Transportation Fuels (UCTF) in the refining industry. The increasing demands for clean fuels require a better fundamental understanding of the catalyst nanostructures and how they affect reaction pathways and catalyst selectivities. We will discuss recent results from density functional theory (DFT) calculations as well as scanning tunneling microscopy (STM) and other microscopy and spectroscopy studies of MoS2, Co-Mo-S and Ni-Mo-S nanostructures. These studies have provided new insight into the location and coordination of the Co and Ni promoter atoms and it is shown that the two promoter atoms may exhibit significant differences. Furthermore, we will also discuss how we have used DFT to elucidate the different HDS reaction pathways and this is combined with studies of adsorption of important poisons and probe molecules. These studies have provided new insight into the catalyst functionalities which play an important role in the production of UCTF.
 

Ultraclean Transportation Fuels
8:25 AM-12:00 PM, Wednesday, April 9, 2008 Morial Convention Center -- Rm. 238, Oral

Division of Fuel Chemistry

The 235th ACS National Meeting, New Orleans, LA, April 6-10, 2008