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

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    Type
    Article
    Authors
    Abdul Jameel, Abdul Gani cc
    Naser, Nimal cc
    Issayev, Gani
    Touitou, Jamal
    Ghosh, Manik Kumer
    Emwas, Abdul-Hamid M.
    Farooq, Aamir cc
    Dooley, Stephen
    Sarathy, Mani cc
    KAUST Department
    Chemical Engineering Program
    Chemical Kinetics & Laser Sensors Laboratory
    Clean Combustion Research Center
    Combustion and Pyrolysis Chemistry (CPC) Group
    Imaging and Characterization Core Lab
    Mechanical Engineering Program
    NMR
    Physical Science and Engineering (PSE) Division
    Date
    2018-03-20
    Online Publication Date
    2018-03-20
    Print Publication Date
    2018-06
    Permanent link to this record
    http://hdl.handle.net/10754/627370
    
    Metadata
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    Abstract
    Surrogate 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 CH, paraffinic CH, paraffinic CH, naphthenic CH–CH 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 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 (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.
    Citation
    Abdul Jameel AG, Naser N, Issayev G, Touitou J, Ghosh MK, et al. (2018) A minimalist functional group (MFG) approach for surrogate fuel formulation. Combustion and Flame 192: 250–271. Available: http://dx.doi.org/10.1016/j.combustflame.2018.01.036.
    Sponsors
    This work was supported by Saudi Aramco under the FUELCOM Program and by King Abdullah University of Science and Technology (KAUST). The work was also funded by KAUST competitive research funding awarded to the Clean Combustion Research Center. Work at Trinity College Dublin is supported by competitive research funding from King Abdullah University of Science and Technology (KAUST) and by Science Foundation Ireland under 13/SIRG/2185(X) and 16/ERCD/3685.
    Publisher
    Elsevier BV
    Journal
    Combustion and Flame
    DOI
    10.1016/j.combustflame.2018.01.036
    Additional Links
    https://www.sciencedirect.com/science/article/pii/S0010218018300403
    ae974a485f413a2113503eed53cd6c53
    10.1016/j.combustflame.2018.01.036
    Scopus Count
    Collections
    Articles; Imaging and Characterization Core Lab; Physical Science and Engineering (PSE) Division; Chemical Engineering Program; Mechanical Engineering Program; Clean Combustion Research Center

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