Abstract
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 1H 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).
Highlights
Crude oil is one of the most chemically complex substances naturally present, and a drop of it is known to contain several hundred thousands of individual molecules of various sizes, structure and functionalities [1,2]
Detailed hydrocarbon analysis (DHA), which identifies and quantifies the individual molecules in gasoline range fuels, has shown that a series of standard gasolines referred to as FACE gasolines contain around a hundred individual molecules [6]
A premium gasoline sample was collected from a commercial gas station in Dhahran, Saudi Arabia and was refrigerated in order to prevent the escape of the volatile components during storage
Summary
Crude oil is one of the most chemically complex substances naturally present, and a drop of it is known to contain several hundred thousands of individual molecules of various sizes, structure and functionalities [1,2]. Detailed hydrocarbon analysis (DHA), which identifies and quantifies the individual molecules in gasoline range fuels, has shown that a series of standard gasolines referred to as FACE (fuels for advanced combustion engines) gasolines contain around a hundred individual molecules [6]. Knowledge of the fuel’s chemical composition is needed in order to develop fuel surrogates, which are usually a mixture of two or more species that aim to reproduce the fuel’s physical, thermochemical and combustion behavior [7]. Based on the chosen surrogate species, detailed chemical kinetic models are developed and used to understand combustion phenomena such as ignition delay time (IDT), low temperature and high temperature heat release, negative temperature coefficient behavior, etc. Identifying all the individual molecules in a fuel along with their composition using methods like DHA is expensive and time consuming, especially during post processing of the obtained data
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