Ethanolic gasoline, a lignocellulosic advanced biofuel

Howard, Mícheál Séamus; Issayev, Gani; Naser, Nimal; Sarathy, S. Mani; Farooq, Aamir; Dooley, Stephen

doi:10.1039/c8se00378e

Cited by 12 publications

(17 citation statements)

References 52 publications

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“…• concentrations necessary to calculate hydrogen atom abstraction reaction rates were obtained through computational simulations according to Howard et al [6]. The concentrations were taken as those of 65% of the computed ignition delay time (750 K, 25 bar, φ = 1.0).…”

Section: Calculation Of Ho • and Ho 2 • Concentrationsmentioning

confidence: 99%

“…These conditions were selected as they have been shown to give the strongest correlation between ignition delay time and RON [54]. The calculations were made using a RON 95 gasoline surrogate fuel [6]. It is important to note that as the chemical composition of the fuel changes (e.g., between a petroleum gasoline and an E10 gasoline) the concentration of key radical species, i.e., HO • and HO 2…”

Section: Calculation Of Ho • and Ho 2 • Concentrationsmentioning

confidence: 99%

“…In addition to fossil-derived fuels, as alternative fuels are mandated to be blended with fossil-derived fuels in increasing fractions, the chemical structure and consequently the physical properties of the resulting fuel will deviate markedly from those encountered at present. This is because the chemical structure of alternative, biologically derived fuels differs significantly from that of fossil derived fuels, e.g., the presence of a large fraction of oxygenated molecules in gasolines/diesels [6]. Therefore, fuel additives are set to play an increasingly prevalent role in facilitating the transition of the global transportation fleet to alternative fuels because they offer a convenient means by which to bring alternative fuel blends within specification.…”

Section: Introductionmentioning

confidence: 99%

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Rational Design and Testing of Anti-Knock Additives

et al. 2020

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An innovative and informed methodology for the rational design and testing of anti-knock additives is reported. Interaction of the additives with OH● and HO2● is identified as the key reaction pathway by which non-metallic anti-knock additives are proposed to operate. Based on this mechanism, a set of generic design criteria for anti-knock additives is outlined. It is suggested that these additives should contain a weak X-H bond and form stable radical species after hydrogen atom abstraction. A set of molecular structural, thermodynamic, and kinetic quantities that pertain to the propensity of the additive to inhibit knock by this mechanism are identified and determined for a set of 12 phenolic model compounds. The series of structural analogues was carefully selected such that the physical thermodynamic and kinetic quantities could be systematically varied. The efficacy of these molecules as anti-knock additives was demonstrated through the determination of the research octane number (RON) and the derived cetane number(DCN), measured using an ignition quality tester (IQT), of a RON 95 gasoline treated with 1 mole % of the additive. The use of the IQT allows the anti-knock properties of potential additives to be studied on one tenth of the scale, compared to the analogous RON measurement. Using multiple linear regression, the relationship between DCN/RON and the theoretically determined quantities is studied. The overall methodology reported is proposed as an informed alternative to the non-directed experimental screening approach typically adopted in the development of fuel additives.

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Section: Calculation Of Ho • and Ho 2 • Concentrationsmentioning

confidence: 99%

Section: Calculation Of Ho • and Ho 2 • Concentrationsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Rational Design and Testing of Anti-Knock Additives

et al. 2020

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“…Due to its carboxyl and carbonyl functionalities, LA can be converted into various products for large-volume chemical markets, as biofuels, intermediates for chemical and pharmaceutical industries, food additives, surfactants, solvents and polymers [15]. In particular, the most promising LA derivatives for biofuel production are its alkyl esters, i.e., alkyl levulinates, γ-valerolactone, 2-methyltetrahydrofuran [16][17][18][19]. The LA yield is strongly affected by the cellulose content of the adopted feedstock [6,13] which can be changed by applying pretreatments [20].…”

Section: Introductionmentioning

confidence: 99%

Sustainable Exploitation of Residual Cynara cardunculus L. to Levulinic Acid and n-Butyl Levulinate

et al. 2021

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Hydrolysis and butanolysis of lignocellulosic biomass are efficient routes to produce two valuable bio-based platform chemicals, levulinic acid and n-butyl levulinate, which find increasing applications in the field of biofuels and for the synthesis of intermediates for chemical and pharmaceutical industries, food additives, surfactants, solvents and polymers. In this research, the acid-catalyzed hydrolysis of the waste residue of Cynara cardunculus L. (cardoon), remaining after seed removal for oil exploitation, was investigated. The cardoon residue was employed as-received and after a steam-explosion treatment which causes an enrichment in cellulose. The effects of the main reaction parameters, such as catalyst type and loading, reaction time, temperature and heating methodology, on the hydrolysis process were assessed. Levulinic acid molar yields up to about 50 mol % with levulinic acid concentrations of 62.1 g/L were reached. Moreover, the one-pot butanolysis of the steam-exploded cardoon with the bio-alcohol n-butanol was investigated, demonstrating the direct production of n-butyl levulinate with good yield, up to 42.5 mol %. These results demonstrate that such residual biomass represent a promising feedstock for the sustainable production of levulinic acid and n-butyl levulinate, opening the way to the complete exploitation of this crop.

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“…Recently, dwindling fossil resources and, particularly, CO 2 -related environmental concerns have led to the wider deployment of alternative/biofuels in ground and aviation transport systems. Because these liquid transportation fuels are derived from nonpetroleum feedstocks, their chemical composition deviates from that historically encountered. ,− This deviation manifests as either markedly different hydrocarbon class distributions or through the inclusion of molecules (e.g., oxygenates) that are not typically found in petroleum-derived liquid transportation fuels. The effect of this is that the petroleum-derived experience-based correlations that underpin the utility of reference indicators begin to weaken. ,, This is particularly significant in instances where reference indicators and related correlations are heavily relied upon, for example, within the aviation industry.…”

Section: Introductionmentioning

confidence: 99%

Quantitative NMR Spectroscopy for the Analysis of Fuels: A Case Study of FACE Gasoline F

2019

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A detailed experimental methodology is outlined, which allows for the measurement of quantitative 1 H and 13 C nuclear magnetic resonance (NMR) spectra of liquid hydrocarbons. Optimal experimental conditions are identified, which allow for the collection of entirely quantitative 1 H and 13 C NMR spectra; the most significant among these are shown to be the choice of solvent and the delay time utilized. A best practice for the interpretation of the measured spectra that utilizes heteronuclear single quantum coherence (HSQC) NMR spectroscopy is outlined. Use of the HSQC method allows for the expeditious determination of fuel-specific integral regions. Importantly, the use of HSQC is shown to be a convenient method for the identification of overlapping peaks. The fidelity of both 1 H and 13 C NMR spectroscopy for the analysis of liquid fuels is demonstrated through the analysis of a range of reference fuels of known composition. Atom type populations are calculated for the reference fuels using a defined set of operating equations. In general, the NMR spectroscopy measured atom type populations show a strong agreement with the known atom type populations. The uncertainty associated with these measurements is determined to be <3%; however, this does not take into account overlapping peaks. The experimental methodology is applied to the analysis of FACE Gasoline F. The NMR-derived atom type population is shown to be in good agreement with the previously reported detailed hydrocarbon analysis (DHA). Additionally, the potential for a synergistic relationship between NMR spectroscopy and DHA is highlighted through the identification of molecules present in FACE Gasoline F that were misidentified by the DHA.

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Ethanolic gasoline, a lignocellulosic advanced biofuel

Abstract: Autoignition propensities of ternary mixtures of bio-derived ethyl levulinate/diethyl ether/ethanol are characterised to identify diesel and gasoline suitable mixtures.

Cited by 12 publications

References 52 publications

Rational Design and Testing of Anti-Knock Additives

Rational Design and Testing of Anti-Knock Additives

Sustainable Exploitation of Residual Cynara cardunculus L. to Levulinic Acid and n-Butyl Levulinate

Quantitative NMR Spectroscopy for the Analysis of Fuels: A Case Study of FACE Gasoline F

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