ANALYSIS OF POLYAROMATICS IN CRUDE GAS OIL MIXTURES - A NEW STRATEGY USING H-1 2D NMR

A new method for analysing complex mixtures, H-1 2D n.m.r., was used to determine polyaromatics in crude gas oil mixtures. 2D NMR overcomes the lack of resolution due to crowded 1D spectra and provides structural information. In particular, TOCSY (total correlation spectroscopy) 2D n.m.r, is well suited to polyaromatics because these molecules give specific 2D fingerprints which can be easily recognized. These patterns were selected and analysed in two ways: (1) specific fingerprint recognition using a pure compound library; (2) using the mixing time tau(m) of the TOCSY sequence. Variation of tau(m) gives a change in cross-peak intensities. The intensity variation curves are characteristic of spin systems and hence of the structures of compounds. Alkylated substitutions were also studied. The compounds were quantified. This strategy was used to analyse crude gas oils and measure the contents of separated alkylated naphthalene isomers, biphenyls, anthracene, phenanthrene and benzothiophene.