Journal
MOLECULES
Volume 26, Issue 22, Pages -Publisher
MDPI
DOI: 10.3390/molecules26226989
Keywords
functional groups; H-1-NMR; octane number; cetane number; gasoline
Funding
- Deanship of Research Over-sight and Coordination (DROC) at King Fahd University of Petroleum and Minerals (KFUPM), Saudi Arabia
- Interdisciplinary Research Center for Refining and Advanced Chemicals (CRAC) [INRC2104]
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Gasoline, a crucial distillate fuel obtained from crude refining, is mainly used for automotive fuel and can be analyzed through high-resolution H-1 NMR spectroscopy to predict fuel properties based on its chemical composition.
Gasoline is one of the most important distillate fuels obtained from crude refining; it is mainly used as an automotive fuel to propel spark-ignited (SI) engines. It is a complex hydrocarbon fuel that is known to possess several hundred individual molecules of varying sizes and chemical classes. These large numbers of individual molecules can be assembled into a finite set of molecular moieties or functional groups that can independently represent the chemical composition. Identification and quantification of groups enables the prediction of many fuel properties that otherwise may be difficult and expensive to measure experimentally. In the present work, high resolution H-1 nuclear magnetic resonance (NMR) spectroscopy, an advanced structure elucidation technique, was employed for the molecular characterization of a gasoline sample in order to analyze the functional groups. The chemical composition of the gasoline sample was then expressed using six hydrocarbon functional groups, as follows: paraffinic groups (CH, CH2 and CH3), naphthenic CH-CH2 groups and aromatic C-CH groups. The obtained functional groups were then used to predict a number of fuel properties, including research octane number (RON), motor octane number (MON), derived cetane number (DCN), threshold sooting index (TSI) and yield sooting index (YSI).
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