Desulfurization of benzonaphthothiophenes and dibenzothiophene with a Raney nickel catalyst and its relationship to the. pi. -electron density
The hydrodesulfurization of heavy petroleum feedstocks and coal-derived liquids requires the conversion of high molecular weight compounds like dibenzothiophene and benzonaphthothiophenes. There are several studies in the literature which deal with the mechanism of the hydrodesulfurization of multi-ring thiophenic compounds on cobalt or nickel molybdenum catalysts at high pressure. However, there are only a few studies which relate the chemical reactivity of these compounds to their electronic structure. The reactivity of a multi-ring sulfur-containing compound is not determined solely by the size of the molecule. In addition, others studied the relationship between the first step in the hydrotreating reaction of benzonaphthothiophene and the Coulombic interaction term of the compounds using the CNDO/S method. Because there is competition between the different processes (hydrogenation and desulfurization) during reaction, it is difficult to understand the relationship between desulfurization and the electronic properties of the compounds under reaction conditions. The calculation of electronic structures necessarily involves many sigma bonds of hydrogenated aromatic rings as well as many electrons of high molecular weight compounds. For this reason, it is best to select a catalyst and reaction conditions under which desulfurization takes place without hydrogenation.
- Research Organization:
- Tokyo Univ. of Agriculture and Technology, Koganei, Tokyo 184
- OSTI ID:
- 7043206
- Report Number(s):
- CONF-860911-
- Journal Information:
- Am. Chem. Soc., Div. Pet. Chem., Gen. Pap., Prepr.; (United States), Vol. 31:3; Conference: 192. American Chemical Society national meeting, Anaheim, CA, USA, 7 Sep 1986
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
NICKEL
CATALYTIC EFFECTS
POLYCYCLIC SULFUR HETEROCYCLES
DESULFURIZATION
ELECTRON DENSITY
AROMATICS
CATALYSIS
CHEMICAL REACTION KINETICS
COAL LIQUIDS
COBALT
ELECTRONIC STRUCTURE
ETHANOL
HYDROGENATION
MOLYBDENUM
PETROLEUM PRODUCTS
PRESSURE DEPENDENCE
SOLVENT EXTRACTION
ALCOHOLS
CHEMICAL REACTIONS
ELEMENTS
EXTRACTION
FLUIDS
HETEROCYCLIC COMPOUNDS
HYDROXY COMPOUNDS
KINETICS
LIQUIDS
METALS
ORGANIC COMPOUNDS
ORGANIC SULFUR COMPOUNDS
REACTION KINETICS
SEPARATION PROCESSES
TRANSITION ELEMENTS
400201* - Chemical & Physicochemical Properties