Comparison of Raman and IR spectroscopy for quantitative analysis of gasoline/ethanol blends

Corsetti, Stella; McGloin, David; Kiefer, Johannes

doi:10.1016/j.fuel.2015.11.018

Cited by 26 publications

(12 citation statements)

References 34 publications

(25 reference statements)

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“…The Raman spectra of tetradecane, pentadecane, and hexadecane acquired at different temperatures were further analysed using PCA. This multivariate method, which has already been described in a previous paper, 27 identifies spectral characteristics that describe the variance of the data set. In other words, the principal components contributing to the individual spectra are extracted.…”

Section: Resultsmentioning

confidence: 99%

Intermediate phases during solid to liquid transitions in long-chain n-alkanes

Corsetti

Rabl

McGloin

et al. 2017

Phys. Chem. Chem. Phys.

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Section: Resultsmentioning

confidence: 99%

Intermediate phases during solid to liquid transitions in long-chain n-alkanes

Corsetti

Rabl

McGloin

et al. 2017

Phys. Chem. Chem. Phys.

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“…Many analytical techniques have been used in the literature for the structural characterization of hydrocarbon fuels, including Gas Chromatography-Mass Spectrometry (GC-MS) [70], Liquid Chromatography-Mass Spectroscopy (LC-MS) [71], supercritical fluid chromatography [72], Infra-Red (IR) spectroscopy [73], Raman spectroscopy [74], vibrational spectroscopy [75], Fourier Transform-Ion Cyclotron Resonance/Mass Spectrometry (FT-ICR/MS) [76,77], FT-IR spectroscopy [78,79] and Nuclear Magnetic Resonance (NMR) spectroscopy [29,77]. A suitable technique for quantifying the atom types in hydrocarbon fuels is 1 H NMR spectroscopy.…”

Section: Fuel Characterizationmentioning

confidence: 99%

A minimalist functional group (MFG) approach for surrogate fuel formulation

Jameel

Issayev

Touitou

et al. 2018

Combustion and Flame

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et al. (2018) A minimalist functional group (MFG) approach for surrogate fuel formulation. Combustion and Flame 192: 250-271. Available: http://dx. AbstractSurrogate fuel formulation has drawn significant interest due to its relevance towards understanding combustion properties of complex fuel mixtures. In this work, we present a novel approach for surrogate fuel formulation by matching target fuel functional groups, while minimizing the number of surrogate species. Five key functional groups; paraffinic CH3, paraffinic CH2, paraffinic CH, naphthenic CH-CH2 and aromatic C-CH groups in addition to structural information provided by the Branching Index (BI) were chosen as matching targets. Surrogates were developed for six FACE (Fuels for Advanced Combustion Engines) gasoline target fuels, namely FACE A, C, F, G, I and J. The five functional groups present in the fuels were qualitatively and quantitatively identified using high resolution 1 H Nuclear Magnetic Resonance (NMR) spectroscopy. A further constraint was imposed in limiting the number of surrogate components to a maximum of two. This simplifies the process of surrogate formulation, facilitates surrogate testing, and significantly reduces the size and time involved in developing chemical kinetic models by reducing the number of thermochemical and kinetic parameters requiring estimation.Fewer species also reduces the computational expenses involved in simulating combustion in practical devices. The proposed surrogate formulation methodology is denoted as the Minimalist Functional Group (MFG) approach. The MFG surrogates were experimentally tested against their target fuels using Ignition Delay Times (IDT) measured in an Ignition Quality Tester (IQT), as specified by the standard ASTM D6890 methodology, and in a Rapid Compression Machine [Type text] 2 (RCM). Threshold Sooting Index (TSI) and Smoke Point (SP) measurements were also performed to determine the sooting propensities of the surrogates and target fuels. The results showed that MFG surrogates were able to reproduce the aforementioned combustion properties of the target FACE gasolines across a wide range of conditions. The present MFG approach supports existing literature demonstrating that key functional groups are responsible for the occurrence of complex combustion properties. The functional group approach offers a method of understanding the combustion properties of complex mixtures in a manner which is independent, yet complementary, to detailed chemical kinetic models. The MFG approach may be readily extended to formulate surrogates for other complex fuels.

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“…A number of analytical techniques have been used in the past to determine ethanol content in gasohol blends. [28][29][30][31][32][33][34][35] However, these methods are inappropriate to instantly check the quality of blended fuels and monitor ethanol concentration in real-time due to sample acquisition and preparation procedures.…”

Section: Introductionmentioning

confidence: 99%