Desulfurization of benzonaphthothiophenes and dibenzothiophene with a Raney nickel catalyst and its relationship to the. pi. -electron density

Conference · Mon Sep 01 04:00:00 EDT 1986 · Am. Chem. Soc., Div. Pet. Chem., Gen. Pap., Prepr.; (United States)

OSTI ID:7043206

Nagai, M; Urimoto, H; Uetake, K; Sakikawa, N; Gonzalez, R D

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-
• Conference Information: Journal Name: Am. Chem. Soc., Div. Pet. Chem., Gen. Pap., Prepr.; (United States) Journal Volume: 31:3
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ALCOHOLS
AROMATICS
CATALYSIS
CATALYTIC EFFECTS
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
COAL LIQUIDS
COBALT
DESULFURIZATION
ELECTRON DENSITY
ELECTRONIC STRUCTURE
ELEMENTS
ETHANOL
EXTRACTION
FLUIDS
HETEROCYCLIC COMPOUNDS
HYDROGENATION
HYDROXY COMPOUNDS
KINETICS
LIQUIDS
METALS
MOLYBDENUM
NICKEL
ORGANIC COMPOUNDS
ORGANIC SULFUR COMPOUNDS
PETROLEUM PRODUCTS
POLYCYCLIC SULFUR HETEROCYCLES
PRESSURE DEPENDENCE
REACTION KINETICS
SEPARATION PROCESSES
SOLVENT EXTRACTION
TRANSITION ELEMENTS