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NMR and GC/MS investigation of the saturate and distillate fractions from the Cerro Negro heavy petroleum crude

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Six fractions of the Cerro Negro heavy petroleum crude have been evaluated using nuclear magnetic resonance spectroscopy (NMR) and gas chromatography/mass spectrometry (GC/MS). The fractions include four saturated hydrocarbon distillate fractions distilling above 200/sup 0/C (200 to 425/sup 0/C (392 to 797/sup 0/F), 425 to 550/sup 0/C (797 to 1022/sup 0/F), 550 to 700/sup 0/C (1022 to 1292/sup 0/F), and >700/sup 0/C (>1292/sup 0/F)) and two distillate subfractions designated as 200/sup 0/C. The >700/sup 0/C and 550 to 700/sup 0/C saturated hydrocarbon fractions are not suited for analyses by combined GC/MS because their distillation ranges are higher than the upper limit of material that will elute from the gas chromatographic column. The /sup 1/H and /sup 13/C NMR spectral data for the 550 to 700/sup 0/C and >700/sup 0/C fractions indicate that normal and branched alkanes with an average carbon chainlength of C/sub 10/ are present but must be bonded to a larger molecular moiety based upon mass spectral evidence and boiling point considerations. Normal and branched alkanes were not detected in either 200 to 425/sup 0/C or 425 to 550/sup 0/C samples at concentrations of 0.01% by weight. NMR data for the 200 to 425/sup 0/C fraction give no indication of normal alkanes with C chainlengths >9. Branched alkanes possibly of the isoprenoid-like structure are present. The average molecular structural representation is an alkyl-substituted dicyclic alkane. Average molecular structural representation for the 425 to 550/sup 0/C fraction is also an alkyl-substituted dicyclic alkane. However, at least one of the alkyl substituents has a chainlength >10. Both normal and branched alkanes of C/sub 7-12/ were detected in the 200/sup 0/C sample. /sup 1/H and /sup 13/C spectra for both subfractions indicate similar chemical composition. 12 refs., 6 figs., 8 tabs.

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Last Updated September 29, 2016, 17:33 (EST)
Created September 29, 2016, 17:33 (EST)
Citation Netzel, D.A. Guffey, F.D. ---- Roy Long, NMR and GC/MS investigation of the saturate and distillate fractions from the Cerro Negro heavy petroleum crude, 2016-09-29, https://edx.netl.doe.gov/dataset/nmr-and-gc-ms-investigation-of-the-saturate-and-distillate-fractions-from-the-cerro-negro-heavy-p0
Netl Product yes
Poc Email Roy.long@netl.doe.gov
Point Of Contact Roy Long
Program Or Project KMD
Publication Date 1987-8-1