Quantitative Molecular Composition of Heavy Petroleum Fractions: A Case Study of Fluid Catalytic Cracking Decant Oil

Quantitative Molecular Composition of Heavy Petroleum Fractions: A Case Study of Fluid Catalytic Cracking Decant Oil

Gasoline

Mass spectrometry

Electrospray ionization

Petroleum analysis

Molecules

Fluid catalytic cracking

Aromatic hydrocarbons

Atmospheric pressure

Negative ions

Drug products

Positive ions

Atmospheric ionization

High-resolution mass spectrometry enables molecular characterization of heavy petroleum fractions for petroleomics research. However, results from mass spectrometry are usually not quantitative. This paper provides strategies and solutions for obtaining quantitative analysis of a heavy petroleum fraction. The fluid catalytic cracking (FCC) slurry decant oil and its fractions were characterized by high-resolution Orbitrap mass spectrometry with various ionization techniques, such as positive- and negative-ion electrospray ionization, positive-ion atmospheric pressure photoionization, and chemical derivatizations. Molecular compositions obtained from various methods were combined and normalized using elemental composition of the FCC decant oil and its fractions. More than 7000 molecules of 20 class species were assigned and quantified. Aromatic hydrocarbon was the most abundant, accounting for 49.6 wt % of FCC decant oil. The non-basic N1O3 class species had a minimum content of 0.03 wt %. The concentration-assigned molecules ranged from 2.0 10-3 to 2.1 104 wppm for C22H15N2 to C18H12, respectively. Copyright 2020 American Chemical Society.

5307-5316

5

34

Energy and Fuels

2020

Li, Haidong

Zhang, Yahe

Xu, Chunming

Zhao, Suoqi

Chung, Keng H.

Shi, Quan

journalArticle

8870624

10.1021/acs.energyfuels.9b03425