Application of FT-IR /sup 13/C NMR spectroscopy to the determination of structural parameters in coals and vitrinite concentrates

Thesis/Dissertation · Sat Jan 01 04:00:00 EST 1983

OSTI ID:6206568

Starsinic, M E

FT-IR curve resolving methods are used to clarify previously controversial band assignments in the 1600 cm/sup -1/ region of the coal spectrum. In addition, other bands resolved in the spectra of vitrinites from bituminous coals may be calibrated using model compounds to give quinone and, upon acetylation, hydroxyl concentrations. Finally, bands revealed in this region of the spectrum of a Texas lignite and assigned to carboxylic acid groups and corresponding counterions are used to develop a method for measurement of such groups. Infrared bands are calibrated after soaking samples in 1N NaOH, which exchanges more COOH groups than traditional BaOH soaking. The determination of aliphatic and aromatic hydrogen, a key parameter in coal structural analysis, is facilitated using the C-H stretching region of the infrared spectrum. Subtraction and curve fitting are used to eliminate overlap of aliphatic and aromatic bands, and conversion factors used were determined from root mean square differences in calculated and measured hydrogen. Concentrations of methyl groups attached to aromatic rings in samples were measured using an overtone in the spectra and model compounds.

• OSTI ID: 6206568
• Country of Publication: United States
• Language: English

Related Subjects

01 COAL, LIGNITE, AND PEAT
010600* -- Coal
Lignite
& Peat-- Properties & Composition
BETA DECAY RADIOISOTOPES
BETA-MINUS DECAY RADIOISOTOPES
CARBON 14
CARBON ISOTOPES
CARBONACEOUS MATERIALS
COAL
ENERGY SOURCES
EVEN-EVEN NUCLEI
FOSSIL FUELS
FUELS
ISOTOPES
LIGHT NUCLEI
MACERALS
MATERIALS
MOLECULAR STRUCTURE
NMR SPECTRA
NUCLEI
ORGANIC ACIDS
ORGANIC COMPOUNDS
RADIOISOTOPES
SPECTRA
YEARS LIVING RADIOISOTOPES