Correlation of bituminous coal hydroliquefaction activation energy with fundamental coal chemical properties
The rate and extent of direct coal hydroliquefaction for 5 bituminous coals from the Argonne Premium Sample Bank have been measured. Data were obtained in batch microautoclave tubing bomb reactors at three temperatures (375, 400, 425/degree/C) and 5 residence times (3, 5, 10, 15, 40 minutes) in 1-methylnaphthalene vehicle under a hydrogen blanket. Data on rate of conversion of coal to THF and toluene solubles were modeled with a simple reversible rate expression, and activation energies for conversion to each solvent solubility class determined. Data on carbon and proton distribution in the coals were obtained by /sup 1/H-NMR (Combined Rotational and Multiple Pulse Spectroscopy) and /sup 13/C-NMR (CPMAS/Dipolar Dephasing). A strong correlation of activation energy with the aliphatic hydrogen content of the coal was found for conversion to THF solubles. Toluene solubles activation energies were found to be highly correlated (R/sup 2/ > 90%) with total oxygen, and protonated aliphatic carbon. /sup 13/C-NMR data indicated a high degree of correlation between protonated aliphatic carbon and total oxygen for only the bituminous coals from the Argonne suite, suggesting the importance of etheric oxygen in crosslinking structures for determination of bituminous coal reactivity.
- Research Organization:
- Colorado School of Mines, Golden (USA)
- OSTI ID:
- 6137137
- Report Number(s):
- CONF-8809273-
- Journal Information:
- Prepr. Pap., Am. Chem. Soc., Div. Fuel Chem.; (United States), Journal Name: Prepr. Pap., Am. Chem. Soc., Div. Fuel Chem.; (United States) Vol. 33:3; ISSN ACFPA
- Country of Publication:
- United States
- Language:
- English
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010405 -- Coal
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010600* -- Coal
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ACTIVATION ENERGY
ALKANES
ALKYLATED AROMATICS
AROMATICS
ASH CONTENT
AUTOCLAVES
BITUMINOUS COAL
BLACK COAL
CALORIFIC VALUE
CARBON
CARBON 13
CARBON ISOTOPES
CARBONACEOUS MATERIALS
CHEMICAL PROPERTIES
CHEMICAL REACTION KINETICS
CHEMICAL REACTION YIELD
COAL
COAL LIQUEFACTION
COAL LIQUIDS
COMBUSTION PROPERTIES
CORRELATIONS
CYCLOALKANES
ELEMENTS
ENERGY
ENERGY SOURCES
EVEN-ODD NUCLEI
FLUIDS
FOSSIL FUELS
FUELS
HYDROCARBONS
HYDROGEN 1
HYDROGEN ISOTOPES
ISOTOPES
KINETICS
LIGHT NUCLEI
LIQUEFACTION
LIQUIDS
MAGNETIC RESONANCE
MATERIALS
MATHEMATICAL MODELS
MATTER
NONMETALS
NUCLEAR MAGNETIC RESONANCE
NUCLEI
ODD-EVEN NUCLEI
ORGANIC COMPOUNDS
OXYGEN
REACTION KINETICS
RESONANCE
STABLE ISOTOPES
STRUCTURAL CHEMICAL ANALYSIS
TEMPERATURE DEPENDENCE
THERMOCHEMICAL PROCESSES
TIME DEPENDENCE
TOLUENE
VOLATILE MATTER
YIELDS