Exploratory study of coal-conversion chemistry. Quarterly report No. 8, February 19, 1983-May 18, 1983

Technical Report · Wed Jun 01 04:00:00 EDT 1983

OSTI ID:5767841

Ross, D S; McMillen, D F; Ogier, W C; Chang, S J; Hum, G P; Mansani, R; Green, T K

In Subtask A.3 the correlation between hydrogen-transfer promoted bond cleavage (solvent-mediated hydrogenolysis) in coal-model compounds and donor-solvent thermochemical parameters has been quantified and extended to the pyrene/dihydropyrene system. The results are in general, but not exact, agreement with the thermochemical analysis, which predicts sequential five-fold and three-fold increases in solvent-mediated hydrogenolysis on moving from 9,10-dihydroanthracene to 9,10-dihyrophenanthrene and 4,5-dihydropyrene. This analysis assumes that the solvent system provides the radical steady-state concentration. The possible additional effects of high initial concentrations of thermally generated coal radicals are discussed in light of the peculiarities of the pyrene system. Our efforts in Task B Conversion in CO/H/sub 2/O Systems were concentrated on Subtask B.2 this quarter. We initiated studies using D/sub 2/O/CO in place of H/sub 2/O/CO. Conversion of coal was enhanced in D/sub 2/O/CO under an equivalent CO conversion. We propose a rationale to account for this solvent isotope effect. Initial interpretation of the NMR work on the D/sub 2/O/CO products show that deuterium is preferentially incorporated into benzylic structural positions. These results are similar to other NMR studies using d/sub 12/-tetralin and D/sub 2/ as conversion medium. Appendixes A and B have been entered separately.

• Research Organization: SRI International, Menlo Park, CA (USA)
• DOE Contract Number: AC22-81PC40785
• OSTI ID: 5767841
• Report Number(s): DOE/PC/40785-8; ON: DE83016166
• Country of Publication: United States
• Language: English

Related Subjects

01 COAL, LIGNITE, AND PEAT
010403 -- Coal & Coal Products-- Hydrogenation-- (-1987)
010405* -- Coal
Lignite
& Peat-- Hydrogenation & Liquefaction
AROMATICS
CARBONACEOUS MATERIALS
CHEMICAL BONDS
CHEMICAL REACTIONS
CHEMISTRY
CLEAVAGE
COAL
COAL LIQUEFACTION
CONDENSED AROMATICS
CRYSTAL STRUCTURE
ENERGY SOURCES
FOSSIL FUELS
FUELS
HYDROCARBONS
HYDROGEN TRANSFER
HYDROGENATION
LIQUEFACTION
MAGNETIC RESONANCE
MATERIALS
MICROSTRUCTURE
NUCLEAR MAGNETIC RESONANCE
ORGANIC COMPOUNDS
ORGANIC SOLVENTS
PYRENE
RADICALS
RESONANCE
SOLVENTS
STRUCTURAL MODELS
THERMOCHEMICAL PROCESSES