¹H NMR application in characterizing the refinery products of gasoline

Abstract

We report on an application of 1H NMR spectroscopy in characterizing the gasoline properties of its refinery products. In this work, a variety of gasoline samples obtained from different refinery stages are studied, and the aromatic, olefin, and paraffin contents as well as the octane number (ON) of the gasoline samples are characterized by 1H NMR. The properties of two product gasoline samples are also studied by 1H NMR spectroscopy; the NMR‐determined values for the ONs are compared with the research octane number values measured in a standard test engine, and a good agreement is achieved. This work indicates that the characteristics of gasoline can be revealed by 1H NMR, and the values derived from the NMR spectroscopy can be used to assess the gasoline quality during its refinery processes. Based on this work, we demonstrate that the 1H NMR spectroscopy is a convenient tool in the continuous monitoring of the refinery processes of gasoline.

1H NMR and Chemometric Methods to Estimate the Octane Number in Brazilian C Gasolines

“…The vinyl hydrogens signals were assigned as d 5.1-4.8 and 6.5-5.9 for monosubstituted (RHC=CHH, RHC=CHH, respectively); These assignments agree with Burri et al, 32 Meusinger, 30 and Sun and Wang. 40 The signal areas of the aliphatic (d 1.8-0.4) and aromatic (d 8.0-6.5) hydrogens from CG, PG and M 1,5,9 samples (Figure 3), supported the proportions between AKI, aromatic and saturated contents, previously determined by IR analyses (Figure 1).…”

“…This fact is related to the overlapping of hydrogen signals from aliphatic hydrocarbon and −CH, −CH 2 and −CH 3 groups in β and γ positions of aromatic rings observed at d 1.8-0.4. 40 Therefore, the PG increasing content in blends (M 1 to M 9 ) results both to the decrease in the signal areas of hydrogens β and γ from aromatics, as well as the concomitant increasing in the signal areas for aliphatic hydrocarbon hydrogens. In order to reinforce these observations, PCA analyses of NMR data from CG, PG and M 1-9 samples were performed.…”

A Rapid 1H NMR-Based Estimation of PONA for Light and Narrow Cut Naphtha Samples of Refinery Streams toward BS-VI Gasoline

“…Hydrocarbon type analysis of refinery naphtha stream or gasoline samples has been well studied by various analytical techniques, such as nuclear magnetic resonance (NMR), − gas chromatography (GC), , and high-performance liquid chromatography (HPLC). − Moreover, several ASTM methods based on the GC technique cover various gasoline range samples for hydrocarbon type estimation. For example, a GC-based detailed hydrocarbon analyzer (DHA) [ASTM D6730-01(2016)] where the olefin content in mass %age can be estimated up to 30% olefin and reformulyzer [ASTM D6839-18] where the PIONA can be estimated by both volume and mass %ages have been well used in laboratories.…”

Using Spectroscopy and Support Vector Regression to Predict Gasoline Characteristics: A Comparison of1H NMR and NIR

“…There are numerous investigations reporting the successful application of both technologies in predicting some physical–chemical properties of gasoline. Among the most recent studies, it is possible to find applications of portable spectrometers or novel chemometric approaches that reportedly give more accurate predictions than the most established ones. − However, few studies have been published on the comparison of the 1 H NMR spectroscopy and NIR vibrational spectroscopy as potential techniques for properties estimation in the petrochemical industry, − and none of them includes the simultaneous estimation of the amount of gasoline physical–chemical properties analyzed in this work. In the current study we aim at comparing the performance of multivariate regression models developed using either NIR or 1 H NMR spectral data to predict 13 different gasoline parameters.…”