Exploratory study of coal-conversion chemistry. Quarterly report No. 6, August 19, 1982-November 18, 1982
Initial experiments combining compound-class (HPLC) separation of coal liquefaction products and field ionization mass spectrometric (FIMS) analysis of the various fractions to obtain improved correlations between donor-solvent structure and coal-conversion effectiveness have been performed. These experiments have used a very low-fluidity bituminous coal (PSOC-1116, Sunnyside, Utah) and tetralin and 1,2,3,4-tetrahydroquinoline (THQ) as donor solvents. Apart from indicating ways in which the chromatography procedure needs to be adjusted to achieve better separation on the basis of functional groups (compound-class separation), FIMS analysis of the various fractions has allowed us to conclude that the observed THQ incorporation (a 100%) is comprised less than 2% physical or hydrogen bonded incorporation, less than 30% by self-polymerization reactions of THQ, and at least 70% by covalent incorporation of the entire THQ molecule into coal structures. This incorporation apparently takes place by way of electrophilic substitution on coal structures, notwithstanding THQ's obvious nucleophilic properties. The conversion of bibenzyl in D/sub 2/O/CO systems at 400/sup 0/C was also studied. The experiments were conducted in stainless steel tubes. The products of the conversion of neat bibenzyl were in accord with previously reported chemistry, with toluene and stilbene the major products. D/sub 2/O had no effect on the product distributions. The addition of CO in the system reduced the amount of stilbene observed, and under basic conditions, stilbene was observed only as a minor product. The disappearance of stilbene paralleled the water-gas shift reaction. It is suggested that molecular hydrogen reacts with thermally produced benzyl radicals to give toluene and/or that stilbene is hydrogenated to give bibenzyl. The implications of this reaction in the conversion of coals in the CO/D/sub 2/O system are briefly discussed.
- Research Organization:
- SRI International, Menlo Park, CA (USA)
- DOE Contract Number:
- AC22-81PC40785
- OSTI ID:
- 6481302
- Report Number(s):
- DOE/PC/40785-6; ON: DE83005408
- Country of Publication:
- United States
- Language:
- English
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Exploratory study of coal-conversion chemistry. Quarterly report No. 4, February 19-May 18, 1982
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Related Subjects
010405* -- Coal
Lignite
& Peat-- Hydrogenation & Liquefaction
AROMATICS
AZINES
BIBENZYL
BITUMINOUS COAL
BLACK COAL
CARBON COMPOUNDS
CARBON MONOXIDE
CARBON OXIDES
CARBONACEOUS MATERIALS
CHALCOGENIDES
CHEMICAL REACTIONS
CHEMISTRY
CHROMATOGRAPHY
COAL
COAL LIQUEFACTION
COAL LIQUIDS
DATA
ENERGY SOURCES
EXPERIMENTAL DATA
EXTRACTION
FLUIDS
FOSSIL FUELS
FRACTIONATION
FUELS
FURANS
HEAVY WATER
HETEROCYCLIC COMPOUNDS
HYDROCARBONS
HYDROGEN COMPOUNDS
HYDROGEN TRANSFER
INFORMATION
LIQUEFACTION
LIQUID COLUMN CHROMATOGRAPHY
LIQUIDS
MASS SPECTROSCOPY
MATERIALS
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
ORGANIC SOLVENTS
OXIDES
OXYGEN COMPOUNDS
PYRIDINES
QUINOLINES
RADICALS
SEPARATION PROCESSES
SOLVENT EXTRACTION
SOLVENTS
SPECTROSCOPY
STEAM
STILBENE
STRUCTURAL MODELS
TETRAHYDROFURAN
TETRALIN
THERMOCHEMICAL PROCESSES
TOLUENE
WATER