Advanced NMR approaches in the characterization of coal

Technical Report · Wed Jan 01 04:00:00 EST 1992

DOI:https://doi.org/10.2172/7151808· OSTI ID:7151808

Maciel, G E

The paper submitted earlier on the use of (bicyclo[3.2.1]4pyrrolidino-N-methyl-octan-8-one triflate) ([sup 13]CO-123) as a [sup 13]C intensity standard was accepted for publication. Subsequently, [sup 13]CO-321 was used in this manner for quantitative [sup 13]C CP-MAS NMR analysis (including spin counting) of Argonne Premium coals. The cross-polarization time constants, T[sub CH], and the rotating-frame proton spin-lattice relaxation times, T[sub 1p][sup H], were determined for each major peak of each coal via a combination of variable contact-time and variable spin-lock (T[sub 1p][sup H]) experiments. Two or three components of rotating-frame [sup 1]H relaxation decay and two or three components of T[sub CH] behavior were observed for each major [sup 13]C peak of each coal. These data were used to determine the number of carbon atoms detected in each coal; these values are in the range between 77% and 87% of the amount of carbon known to be in each coal from elemental analysis data, except for Pocahontas No. 3, for which only 50% of the carbon was detected. In an attempt to use [sup 1]H CRAMPS to elucidate chemical functionality in coal, pyridine-saturated samples of the Argonne Premium coals were examined in detail in terms of their [sup 1]H CRAMPS NMR spectra. These spectra were deconvoluted to yield relative concentrations for individual peaks.

• Research Organization: Colorado State Univ., Fort Collins, CO (United States). Dept. of Chemistry
• Sponsoring Organization: DOE; USDOE, Washington, DC (United States)
• DOE Contract Number: FG22-90PC90290
• OSTI ID: 7151808
• Report Number(s): DOE/PC/90290-8; ON: DE93006009
• Country of Publication: United States
• Language: English

Related Subjects

01 COAL, LIGNITE, AND PEAT
010600* -- Coal
Lignite
& Peat-- Properties & Composition
CARBON 13
CARBON ISOTOPES
CARBONACEOUS MATERIALS
COAL
DOCUMENT TYPES
ENERGY SOURCES
EVEN-ODD NUCLEI
FOSSIL FUELS
FUELS
HYDROGEN 1
HYDROGEN ISOTOPES
ISOTOPES
LIGHT NUCLEI
MAGNETIC RESONANCE
MATERIALS
NMR SPECTRA
NUCLEAR MAGNETIC RESONANCE
NUCLEI
ODD-EVEN NUCLEI
PROGRESS REPORT
RESONANCE
SPECTRA
STABLE ISOTOPES
STRUCTURAL CHEMICAL ANALYSIS