Energy & Fuels, Vol.30, No.12, 10187-10199, 2016
Characterization of Heavy Distillation Cuts Using Fourier Transform Infrared Spectrometry: Proof of Concept
Fourier transform infrared spectrometry (FTIR) spectra were measured for 16 distillation cuts obtained from two bitumens using a deep vacuum fractionation apparatus. Three regions of the spectra were deconvoluted into peaks each associated with a known type of vibration: (1) aliphatic C-H stretching in the 2800-3000 cm(-1) region, (2) aliphatic C-H scissoring/symmetric deformation in the 1350-1400 cm(-1) region, and (3) aromatic C-H out-of-plane bending in the 680-900 cm(-1) region. The distribution of chemical structures in the oils were assessed, and preliminary correlations were identified between measured physical properties (density, atomic H/C ratio, and molecular weight) and the quantified peak areas obtained from the FTIR spectra. A preliminary method was proposed to generate physical property distribution data for crude oils based on distillation and FTIR data. The method predicted the density, atomic H/C ratio, and molecular weight of the distillation cuts, with average deviations less than 0.8, 1.4, and 16%, respectively. Note that the method was tested on the same cuts used to generate the correlations because there were insufficient data for an independent test.