Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 2 of 2
Full-Text Articles in Engineering
Transition States And Modeling For Co9s8/Mos2 Catalysis, Gabriel Angel Gonzalez
Transition States And Modeling For Co9s8/Mos2 Catalysis, Gabriel Angel Gonzalez
Open Access Theses & Dissertations
Transition state computational studies of the sulfur removal from dibenzothiophene (DBT) molecule have herein been performed considering the Co9S8/MoS2 interface existing on unsupported Co/MoS2 catalysts. The linear synchronous transit (LST) and quadratic synchronous transit (QST) methods integrated in a density functional theory (DFT) program such as Dmol3 were used for the calculations of energy barriers of the transition states. Three different configurations present on the Co9S8/MoS2 interface have been envisaged as possible catalytic sites: sulfur-sulfur (S, S) sites, and molybdenum-sulfur (Mo, S) and molybdenum-molybdenum (Mo, Mo) edge sites. This study revealed that the (Mo, Mo) edge site is the most …
Characterization Of Kendex® 0834 (Heavy Resins) & Kendex® 0897 (Light Resins), Victor Correa
Characterization Of Kendex® 0834 (Heavy Resins) & Kendex® 0897 (Light Resins), Victor Correa
Open Access Theses & Dissertations
Characterization of crude oil and some of its refined products has always been a challenge in the refining industry. This is mainly due to the high molecular complexity of crude oil. In this research, Heavy and Light Resins extracted from Penn Grade crude oil were analyzed with a wide variety of techniques, ranging from X-Ray Diffraction, Electron Microscopy, Fourier Transformed Infrared, C-13 Nuclear Magnetic Resonance, and chromatographic methods. An asphaltene extraction protocol was performed on both products. Only the Heavy Resin sample yielded a low amount of asphaltene. Results show that both Resins have a high degree of carbon branching, …