Effects of T/sub 1/ and NOE considerations in quantitative applications of carbon-13 NMR to the analysis of complex hydrocarbon mixtures

Conference · Mon Jan 01 04:00:00 EST 1979 · Prepr., Div. Pet. Chem., Am. Chem. Soc.; (United States)

OSTI ID:5916589

Alger, T D; Pugmire, R J; Hamill, Jr, W D; Grant, D M

In order to overcome the many problems of C-13 NMR, the authors obtained T/sub 1/ and NOE values (spin-lattice relaxation times and Nuclear Overhauser Effect) on a number of model compounds (polycyclicaromatic, hydroaromatic, and alkylated aromatic hydrocarbons) which were thought to have representative values similar to those found in complex hydrocarbon mixtures. The T/sub 1/ and NOE values thus obtained provided valuable information on relaxation processes, range of values expected, and details of molecular motion. T/sub 1/ and NOE data were obtained on naphthalene, tetralin, acenaphthene, pyrene, symmetrical hexahydropyrene, phenanthrene, 1-8 octahydrophenanthrene, xanthone, and phenyloctane. This group of compounds represented a set of structural types representative of many moieties known to occur in coal derived liquids. In terms of general relaxation considerations the data is considered in terms of protonated and non-protonated carbons. Relaxation constraints were much less severe at high fields than those encountered using iron core magnet NMR technology. Based on experimental data, the non-protonated carbons at C-15,16 in pyrene represented the longest T/sub 1/ values one would expect to encounter. By using mixtures of these compounds, varied spectrometer operating conditions were used on coal derived liquids to arrive at an optimal set of parameters. 1 table.

• Research Organization: Univ. of Utah, Salt Lake City
• DOE Contract Number: ER-78-S-02-5006
• OSTI ID: 5916589
• Report Number(s): CONF-790415-P3
• Conference Information: Journal Name: Prepr., Div. Pet. Chem., Am. Chem. Soc.; (United States) Journal Volume: 24:2
• Country of Publication: United States
• Language: English

Related Subjects

01 COAL, LIGNITE, AND PEAT
010600* -- Coal
Lignite
& Peat-- Properties & Composition
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400104 -- Spectral Procedures-- (-1987)
AROMATICS
BARYONS
CARBON 13
CARBON ISOTOPES
CHEMICAL ANALYSIS
COAL LIQUIDS
CONDENSED AROMATICS
DISPERSIONS
ELEMENTARY PARTICLES
EVEN-ODD NUCLEI
FERMIONS
HADRONS
HYDROCARBONS
ISOTOPES
LIGHT NUCLEI
MAGNETIC RESONANCE
MIXTURES
NAPHTHALENE
NUCLEAR MAGNETIC RESONANCE
NUCLEI
NUCLEONS
ORGANIC COMPOUNDS
OVERHAUSER EFFECT
PHENANTHRENE
PROTONS
PYRENE
QUALITATIVE CHEMICAL ANALYSIS
RELAXATION
RESONANCE
SPIN-LATTICE RELAXATION
STABLE ISOTOPES
TETRALIN