Identification and Quantification of Hydrocarbon Functional Groups in Gasoline Using <sup>1</sup>H-NMR Spectroscopy for Property Prediction
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. The...
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oai:doaj.org-article:2533e958bc55476dae555c2526c52db32021-11-25T18:28:57ZIdentification and Quantification of Hydrocarbon Functional Groups in Gasoline Using <sup>1</sup>H-NMR Spectroscopy for Property Prediction10.3390/molecules262269891420-3049https://doaj.org/article/2533e958bc55476dae555c2526c52db32021-11-01T00:00:00Zhttps://www.mdpi.com/1420-3049/26/22/6989https://doaj.org/toc/1420-3049Gasoline 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 <sup>1</sup>H 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, CH<sub>2</sub> and CH<sub>3</sub>), naphthenic CH-CH<sub>2</sub> 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).Abdul Gani Abdul JameelMDPI AGarticlefunctional groups<sup>1</sup>H-NMRoctane numbercetane numbergasolineOrganic chemistryQD241-441ENMolecules, Vol 26, Iss 6989, p 6989 (2021) |
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functional groups <sup>1</sup>H-NMR octane number cetane number gasoline Organic chemistry QD241-441 |
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functional groups <sup>1</sup>H-NMR octane number cetane number gasoline Organic chemistry QD241-441 Abdul Gani Abdul Jameel Identification and Quantification of Hydrocarbon Functional Groups in Gasoline Using <sup>1</sup>H-NMR Spectroscopy for Property Prediction |
| description |
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 <sup>1</sup>H 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, CH<sub>2</sub> and CH<sub>3</sub>), naphthenic CH-CH<sub>2</sub> 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). |
| format |
article |
| author |
Abdul Gani Abdul Jameel |
| author_facet |
Abdul Gani Abdul Jameel |
| author_sort |
Abdul Gani Abdul Jameel |
| title |
Identification and Quantification of Hydrocarbon Functional Groups in Gasoline Using <sup>1</sup>H-NMR Spectroscopy for Property Prediction |
| title_short |
Identification and Quantification of Hydrocarbon Functional Groups in Gasoline Using <sup>1</sup>H-NMR Spectroscopy for Property Prediction |
| title_full |
Identification and Quantification of Hydrocarbon Functional Groups in Gasoline Using <sup>1</sup>H-NMR Spectroscopy for Property Prediction |
| title_fullStr |
Identification and Quantification of Hydrocarbon Functional Groups in Gasoline Using <sup>1</sup>H-NMR Spectroscopy for Property Prediction |
| title_full_unstemmed |
Identification and Quantification of Hydrocarbon Functional Groups in Gasoline Using <sup>1</sup>H-NMR Spectroscopy for Property Prediction |
| title_sort |
identification and quantification of hydrocarbon functional groups in gasoline using <sup>1</sup>h-nmr spectroscopy for property prediction |
| publisher |
MDPI AG |
| publishDate |
2021 |
| url |
https://doaj.org/article/2533e958bc55476dae555c2526c52db3 |
| work_keys_str_mv |
AT abdulganiabduljameel identificationandquantificationofhydrocarbonfunctionalgroupsingasolineusingsup1suphnmrspectroscopyforpropertyprediction |
| _version_ |
1718411062666067968 |