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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MDPI AG
2021-11-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/26/22/6989 |
| _version_ | 1797509135955132416 |
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| author | Abdul Gani Abdul Jameel |
| author_facet | Abdul Gani Abdul Jameel |
| author_sort | Abdul Gani Abdul Jameel |
| collection | DOAJ |
| 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). |
| first_indexed | 2024-03-10T05:13:30Z |
| format | Article |
| id | doaj.art-2533e958bc55476dae555c2526c52db3 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T05:13:30Z |
| publishDate | 2021-11-01 |
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| record_format | Article |
| series | Molecules |
| spelling | doaj.art-2533e958bc55476dae555c2526c52db32023-11-23T00:36:53ZengMDPI AGMolecules1420-30492021-11-012622698910.3390/molecules26226989Identification and Quantification of Hydrocarbon Functional Groups in Gasoline Using <sup>1</sup>H-NMR Spectroscopy for Property PredictionAbdul Gani Abdul Jameel0Department of Chemical Engineering, King Fahd University of Petroleum & Minerals, Dhahran 31261, Saudi ArabiaGasoline 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).https://www.mdpi.com/1420-3049/26/22/6989functional groups<sup>1</sup>H-NMRoctane numbercetane numbergasoline |
| spellingShingle | Abdul Gani Abdul Jameel Identification and Quantification of Hydrocarbon Functional Groups in Gasoline Using <sup>1</sup>H-NMR Spectroscopy for Property Prediction Molecules functional groups <sup>1</sup>H-NMR octane number cetane number gasoline |
| title | 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_short | 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 |
| topic | functional groups <sup>1</sup>H-NMR octane number cetane number gasoline |
| url | https://www.mdpi.com/1420-3049/26/22/6989 |
| work_keys_str_mv | AT abdulganiabduljameel identificationandquantificationofhydrocarbonfunctionalgroupsingasolineusingsup1suphnmrspectroscopyforpropertyprediction |