Abstracts Book - IMRC 2018

• SF3-O043 Invited Talk
STRUCTURAL AND FRACTAL ASPECTS OF MOS2 AND MoS2/Co
TYPE CATALYSTS FOR UPGRADING HEAVY OILS
Jose Manuel Dominguez 1 , Félix Galindo Hernández 1 , Ilke Arslan 2 , Manuel Antonio Ramos 3 , Toby
Sanders 2
1 Instituto Mexicano del Petróleo, , Mexico. 2 Pacific Northwest National Laboratory, Institute for
Integrated Catalysis and Environmental Molecular Science Laboratory, United States.
3 Universidad Autónoma de Ciudad Juárez, Instituto de Ingeniería y Tecnología, Mexico.
The fractal dimension (D) of MoS2 and MoS2/Co catalyst particles was
determined by DFT methods including Neimarke-Kiselev´s method. This study
included a combination of X-Ray Rietveld refinement and Radial Distribution
Function (RDF) methods, together with 3D-lectron density maps, computational
density functional theory and nitrogen adsorption methods altogether, for
studying the structural and textural features of spherical MoS2 and MoS2/Co
particles. Neimark-Kiselev’s equations allowed evaluating a pore volume
variation from 10 to 110 cm3/g caused by cobalt insertion into the interlayered
space of MoS2, which seems to induce the formation of cavities and throats in
between of less than 29 nm, with a curvature radius rk < 14.4 nm; typical large
needle-like arrays having 20 2D layers units corresponded to a model consisting
of smooth surfaces within these cavities. Decreasing DP, DB, DI and DM values
occur when Co atoms are present in the MoS2 laminates, which promote the
formation of smoother edges and denser surfaces that have an influence on the
catalytic properties of the S-Mo-S(Co) system.
Acknowledgment:
Proyecto SENER-Conacyt
Keywords: Molybdenum di-sulfide, CoMoS phase, Rietveld?s Refinement
Presenting authors email: jmdoming@imp.mx