Electronic factors in thiophene adsorption and hydrodesulfurization on MoS/sub 2/ surfaces. Technical report
Hydrodesulfurization, the removal of sulfur in the form of H/sub 2/S from petroleum compounds, is a crucial step in industrial-refinement processes. In spite of numerous recent experimental and theoretical studies, many aspects of the complex HDS system remain obscure. We will focus on the MoS/sub 2//thiophene system in this work. MoS/sub 2/ based systems are among the most frequently used and studied catalysts. The microscopic nature of the active surface is not well defined, although several points can be made. Crystallites of the material are bound to an Al/sub 2/O/sub 3/ support, which is generally considered to be inert. MoS/sub 2/ is a layer compound; the crystals cleave readily between the S-Mo-S sandwiches to expose all-sulfur faces. However, this surface, the basal plane, is believed to be inactive in HDS. The catalytic surface contains exposed Mo atoms. A good candidate is the edge plane perpendicular to the sulfur layers. Corner sites along the edge and defect sites arising from missing surface sulfur atoms, in particular, have been implicated as the active sites. These Mo atoms are coordinatively unsaturated, thus it is not unreasonable that adsorption may occur here.
- Research Organization:
- Cornell Univ., Ithaca, NY (USA). Lab. of Atomic and Solid State Physics
- OSTI ID:
- 5921526
- Report Number(s):
- AD-A-184229/3/XAB; TR-35
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
MOLYBDENUM SULFIDES
SORPTIVE PROPERTIES
PETROLEUM FRACTIONS
DESULFURIZATION
HYDROGENATION
REFINING
THIOPHENE
ADSORPTION
ATOMS
CATALYSTS
CATALYTIC CRACKING
CRYSTALS
EXPERIMENTAL DATA
LAYERS
PETROLEUM PRODUCTS
REMOVAL
SULFATES
SULFUR
SURFACES
CHALCOGENIDES
CHEMICAL REACTIONS
CRACKING
DATA
DECOMPOSITION
ELEMENTS
ENERGY SOURCES
FOSSIL FUELS
FUELS
HETEROCYCLIC COMPOUNDS
INFORMATION
MOLYBDENUM COMPOUNDS
NONMETALS
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC SULFUR COMPOUNDS
OXYGEN COMPOUNDS
PETROLEUM
PROCESSING
PYROLYSIS
REFRACTORY METAL COMPOUNDS
SORPTION
SULFIDES
SULFUR COMPOUNDS
SURFACE PROPERTIES
THERMOCHEMICAL PROCESSES
TRANSITION ELEMENT COMPOUNDS
020400* - Petroleum- Processing