Datensatz

Zusammenfassung

SARA (Saturates, Aromatics, Resins, Asphaltenes) fractionation is a common simplification technique used for decades in petrochemical analysis. A large number of studies are dealing with the different fractions, but overall, the saturate fraction is strongly neglected. Of the very few available studies on the saturates fraction, almost all have been performed using gas chromatographic (GC) techniques. This discriminates the results of the saturate fraction especially since non-volatile, high molecular weight and polar constituents are mostly excluded. Here, for the first time, saturate fractions of different crude oils from different origins are analyzed using direct infusion ultrahigh resolution mass spectrometry (UHRMS), to study the compositions on a molecular level. Electrospray (ESI), atmospheric pressure chemical ionization (APCI) and atmospheric pressure photoionization (APPI) are used in positive mode. The observed results show the presence of different heteroatom containing classes, with different chemical identities (i.e., presence of thiophenes, mercaptans and cyclic-sulfides in case of S-containing compounds). These results show the high affinity of some specific compounds towards different ionization techniques. Finally, the saturate fraction is shown to include much more than only volatile, saturated and aliphatic compounds. The detected compounds in this fraction present a very wide variety, not only in terms of their carbon atoms per molecule and their aromaticity, but also with regard to their functional groups and structural arrangements.