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Hydrogenation and cracking of coal related fused-ring structures using ZnCl/sub 2/ and AlCl/sub 3/ catalysts. [PhD thesis; contains literature review of hydrogenation experiments with model compounds]

Technical Report ·
OSTI ID:6893791

Metal halide catalysts, especially zinc chloride, have been demonstrated to be effective catalysts for the conversion of coal to liquid products. Coal is believed to consist of aromatic structural units joined together by various linkages. The present work was undertaken to study the effect of zinc chloride and aluminum chloride on a group of two and three ring aromatic and hydroaromatic substances representative of those found in coal. Reactions were carried out in a batch autoclave using cyclohexane solvent, temperature of 325/sup 0/C and hydrogen or nitrogen pressure of 1600 psig. Dilute solutions of substrates in cyclohexane and a catalyst to substrate ratio of 0.54 were used. Substantial substrate reactivity differences were observed for reactions in the presence of ZnCl/sub 2/. These reactions are described. All substrates were quite reactive in the presence of AlCl/sub 3/. This resulted in substantial tar formation as well as high conversions to liquid products. The source of hydrogen used in hydrogenation and cracking of substrates was found to depend on the nature of the catalyst. In the presence of ZnCl/sub 2/, gaseous hydrogen was the major source of hydrogen. In the presence of AlCl/sub 3/, Scholl condensation of substrates or reaction intermediates provided most of the hydrogen. Reaction networks were proposed for hydrogenation and cracking of substrates based on products of reactions of substrates as well as reactions of products of partial hydrogenation of substrates. These networks were explained in terms of carbonium ion mechanisms.

Research Organization:
California Univ., Berkeley (USA). Lawrence Berkeley Lab.
DOE Contract Number:
W-7405-ENG-48
OSTI ID:
6893791
Report Number(s):
LBL-11512
Country of Publication:
United States
Language:
English