Identification of sulfur heterocycles in coal liquids and shale oils. Technical progress report, 1 August 1979-31 October 1982. [203 references]

Technical Report · Fri Jan 01 04:00:00 EST 1982

OSTI ID:6829422

Kong, R C; Willey, C; Later, D W; Campbell, R M; Lee, M L; Tominaga, Y; Iwao, M; Pratap, R; Tedjumulia, M; Castle, R N

A chemical class fractionation method was developed to separate synfuels into fractions according to chemical functionality: i.e., aliphatic hydrocarbons; neutral polycyclic aromatic compounds containing polycyclic aromatic hydrocarbons (PAH), polycyclic aromatic sulfur heterocycles (PASH), and polycyclic aromatic oxygen heterocycles (PAOH); secondary nitrogen polycyclic aromatic heterocycles (i.e. carbazole); amino polycyclic aromatic hydrocarbons (APAH), and tertiary nitrogen polycyclic aromatic heterocycles (i.e. acridine); and hydroxyl polycyclic aromatic hydrocarbons (HPAH). The neutral fraction was further treated in order to isolate the PASH fraction for additional studies of this class of compounds. Isolated PASH fractions of synfuels were analyzed by gas chromatography with SE-52 capillary columns. However, the isomeric PASH needed greater resolution than provided by these columns. Studies were conducted using Superox 20M for 3-ring PASH, and mixed phases of liquid crystals with SE-52 or a poly(mesogen/methyl)- siloxane for 3-, 4-, and 5-ring PASH. Sulfur-selective detection was used for preliminary screening for sulfur compounds in the PASH fraction, while gas chromatographic mass spectrometry was useful for assigning molecular weights. Over 100 PASH were synthesized, and the retention indices of these PASH were measured and compared with those determined from synthetic fuel fractions. Three-, four- and five-ring standard PASH were tested for mutagenic activity using the Ames method. The results provide a good picture of the PASH in various synthetic fuels and should be valuable in understanding the composition and environmental consequences of the PASH in synfuel products. 203 references.

• Research Organization: Brigham Young Univ., Provo, UT (USA). Dept. of Chemistry; University of South Florida, Tampa (USA). Dept. of Chemistry
• DOE Contract Number: AC02-79EV10237
• OSTI ID: 6829422
• Report Number(s): DOE/EV/10237-3; ON: DE83002271
• Country of Publication: United States
• Language: English

Related Subjects

01 COAL, LIGNITE, AND PEAT
010405* -- Coal
Lignite
& Peat-- Hydrogenation & Liquefaction
010600 -- Coal
Lignite
& Peat-- Properties & Composition
04 OIL SHALES AND TAR SANDS
040500 -- Oil Shales & Tar Sands-- Properties & Composition
AROMATICS
CHROMATOGRAPHY
COAL LIQUEFACTION
COAL LIQUIDS
COAL TAR
DATA
ENERGY SOURCES
EXPERIMENTAL DATA
EXTRACTION
FLUIDS
FOSSIL FUELS
FRACTIONATION
FUELS
GAS CHROMATOGRAPHY
HETEROCYCLIC COMPOUNDS
HYDROCARBONS
INFORMATION
LIQUEFACTION
LIQUID COLUMN CHROMATOGRAPHY
LIQUIDS
MASS SPECTROSCOPY
MINERAL OILS
MUTAGEN SCREENING
NUMERICAL DATA
OILS
ORGANIC COMPOUNDS
ORGANIC SULFUR COMPOUNDS
OTHER ORGANIC COMPOUNDS
POLYCYCLIC AROMATIC HYDROCARBONS
SCREENING
SEPARATION PROCESSES
SHALE OIL
SOLVENT EXTRACTION
SOLVENT-REFINED COAL
SPECTROSCOPY
SRC PROCESS
SRC-II PROCESS
SYNTHESIS
SYNTHETIC FUELS
TAR
THERMOCHEMICAL PROCESSES