Kinetics and mechanism of catalytic hydroprocessing of components of coal-derived liquids. Eighth and Ninth quarterly reports, February 15, 1981-August 15, 1981

Technical Report · Mon Nov 30 04:00:00 EST 1981

OSTI ID:5127535

Gates, B C; Katzer, J R; Kwart, H; Olson, J H; Schuit, G C.A.; Stiles, A B; Petrakis, L

Kinetic models were developed for hydrogenation, hydrodesulfurmization and hydrodenitrogenation reactions during catalytic hydrotreating under industrially relevant process conditions. Model compounds were used to represent aromatic, nitrogen and sulfur compound types found in coal liquids, respectively naphthalene (N), quinoline (Q), basic nitrogen, indole (I), non-basic nitrogen, and dibenzothiophene (D). This study emphasizes the interaction between hydrogenation, hydrodenitrogenation, and hydrodesulfurization. Of special significance are the new results reported for binary and ternary mixtures. The kinetic model developed is based on proposed reaction networks and pseudo first-order kinetics. The objective was to develop removal, sulfur removal and hydrogen consumption. A Langmuir-Hinshelwood-Hougen-Watson (LHHW) kinetic model was found to be most useful in correlating the data and in permitting interpretation of the competitive behavior of strongly and weakly adsorbed reactants and products. Quinoline, indole, dibenzothiophene, naphthalene and their products were categorized into 5 kinetically significant adsorption groups to account for the interactions among the nitrogen-containing, sulfur-containing, and aromatic compounds during catalytic hydrotreating. Basic nitrogen-containing compounds adsorb two orders of magnitude more strongly than sulfur-containing or aromatic compounds and are the strongest inhibitor, indicating the importance of acidic sites in hydrotreating reactions. The kinetic models developed were used for predicting hydrotreating kinetics in ternary mixtures, and compared with experimental results.

• Research Organization: Delaware Univ., Newark (USA). Dept. of Chemical Engineering; Gulf Research and Development Co., Pittsburgh, PA (USA)
• DOE Contract Number: AC22-79ET14880
• OSTI ID: 5127535
• Report Number(s): DOE/ET/14880-08; ON: DE82019763
• Country of Publication: United States
• Language: English

Related Subjects

01 COAL, LIGNITE, AND PEAT
010405* -- Coal
Lignite
& Peat-- Hydrogenation & Liquefaction
AROMATICS
AZINES
AZOLES
CALCULATION METHODS
CATALYSTS
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
COAL LIQUEFACTION
COAL LIQUIDS
CONDENSED AROMATICS
DATA
DENITRIFICATION
DESULFURIZATION
EXPERIMENTAL DATA
FLUIDS
HETEROCYCLIC COMPOUNDS
HYDROCARBONS
HYDROGENATION
INDOLES
INFORMATION
KINETICS
LIQUEFACTION
LIQUIDS
NAPHTHALENE
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC SULFUR COMPOUNDS
PYRIDINES
PYRROLES
QUINOLINES
REACTION KINETICS
RESEARCH PROGRAMS
STRUCTURAL MODELS
THERMOCHEMICAL PROCESSES
THIOPHENE