¹H NMR and ¹³C NMR Studies of Oil from Pyrolysis of Indonesian Oil Sands

Abstract

In this study, 1 H NMR and quantitative 13 C NMR spectroscopies were used to investigate the chemical transformations of oil during the retorting process. Oil samples were obtained by the pyrolysis of Indonesian oil sands at various heating rates and final retorting temperatures. A modified Brown−Ladner method was used to determine the structural parameters of the samples. The results showed that the effects of the final retorting temperature on the chemical structures were significant, because decomposition and polymerization occurred during the retorting process. The chemical structure was also significantly affected by the heating rate, which influenced the degrees of distillation and pyrolysis. For comparison and accuracy, the equations proposed by Poveda and Molina (J. Pet. Sci. Eng. 2012, 84−85, 1−7) were also used to calculate the structural parameters, based on a combination of the 1 H and 13 C NMR spectra. The observed trends in the changes in the structural parameters were similar for the two methods.

Characterization of bio-crude components derived from pyrolysis of soft wood and its esterified product by ultrahigh resolution mass spectrometry and spectroscopic techniques

“…The integrations were performed manually five times and the averaged results of the areas for each chemical shift of 1 H and 13 C NMR data are shown in Table 2. The chemical shift regions evaluated by 1 H NMR and 13 C NMR were based on values from the literature [6,37].…”

Exploration of the Difference in Molecular Structure of n-C7 and CO2 Induced Asphaltenes

“…10,11 Particularly remarkable advances have been achieved in understanding asphaltene morphologies using scanning electron microscopy (SEM) and high resolution transmission electron microscopy (HRTEM) techniques. 14 The past decade has also witnessed major achievements by NMR 12,13,15,16 and Fourier transform infrared (FTIR) 17 spectroscopies. These techniques have been used to determine the structure and composition of petroleum fractions including asphaltenes.…”

“…2.5. 1 H and 13 C NMR Experiments. The proton 1 H and carbon 13 C NMR spectroscopic analyses were performed using a Bruker AVI400 spectrometer operating at 400.1 and 100.6 MHz for proton and carbon, respectively.…”

“…1 H and 13 C NMR Experiments. The proton 1 H and carbon 13 C NMR spectroscopic analyses were performed using a Bruker AVI400 spectrometer operating at 400.1 and 100.6 MHz for proton and carbon, respectively. Toluene-d 8 (99.96 atom % D) was used as received from Sigma-Aldrich as a solvent for NMR tests.…”

“…NMR Analysis Procedure. The approaches proposed by Speight 29,30 and Gillet 31 were employed in this study to analyze the band area and interpret both the 1 H and 13 C NMR spectra which were used to determine the percentage of each type of proton and carbon. The structural parameters of the asphaltenes, i.e., n, average number of carbons per chain, number of aliphatic chains by aromatic hexagon, aromatic size ratio C p /C ar (C p and C ar are aromatic peripheral and aromatic carbon atoms, respectively), and aromaticity were obtained using NMR spectral analysis.…”