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    High-Temperature Pyrolysis and Combustion of C5–C19 Fatty Acid Methyl Esters (FAMEs): A Lumped Kinetic Modeling Study

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    manuscript (17).pdf
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    2.030Mb
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    PDF
    Description:
    Accepted manuscript
    Embargo End Date:
    2022-11-19
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    Type
    Article
    Authors
    Zhang, Xiaoyuan cc
    Sarathy, Mani cc
    KAUST Department
    Clean Combustion Research Center
    Chemical Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2021-11-19
    Embargo End Date
    2022-11-19
    Submitted Date
    2021-10-07
    Permanent link to this record
    http://hdl.handle.net/10754/673698
    
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    Abstract
    In the effort to mitigate the depletion of fossil fuels and climate change, biodiesels are considered to be one of the most suitable substitutes for petro-diesel in compression ignition engine applications. As a follow up to prior modeling studies for gasoline and jet surrogate fuel components (Zhang, X.; Mani Sarathy, S. Fuel, 2021, 286, 119361), this work proposes a lumped kinetic model for both saturated and unsaturated C5–C19 fatty acid methyl esters (FAMEs) based on the same methodology. The present lumped model includes 52 FAME fuel components, covering a wide range of biodiesel surrogate fuel components, as well as components typically found in biodiesels. This methodology decouples the combustion of FAME fuels into two stages: the pyrolysis of fuel molecules and the oxidation of pyrolysis intermediates. Lumped reaction steps are used to describe the (oxidative) pyrolysis of each fuel molecule, while a detailed model (Aramcomech 2.0) is adopted as the base mechanism to describe the subsequent conversion of these key intermediates. Rate rules adopted for all the FAME fuels are consistent. The present lumped model is validated against experimental data from 20 pure FAMEs and six diesel/biodiesel surrogates, including around 130 sets of validation data. In general, the present lumped model satisfactorily captures most of these validation targets. This lumped model performs comparably with the detailed models developed in the literature under combustion conditions. Combined with the lumped model for 50 hydrocarbon fuels developed in previous work by this group, the lumped kinetic model for FAME fuels developed here can be used to predict the pyrolysis and combustion chemistry of diesel/biodiesel surrogates in CFD simulations after necessary model reduction for the base model. Also, the stoichiometric parameters of the lumped reactions for various pure FAMEs can be used as the database for data science study in FGMech development for real biodiesels.
    Citation
    Zhang, X., & Sarathy, S. M. (2021). High-Temperature Pyrolysis and Combustion of C5–C19 Fatty Acid Methyl Esters (FAMEs): A Lumped Kinetic Modeling Study. Energy & Fuels. doi:10.1021/acs.energyfuels.1c03442
    Sponsors
    This work was supported by King Abdullah University of Science and Technology (KAUST), with funds allocated to the Clean Combustion Research Center.
    Publisher
    American Chemical Society (ACS)
    Journal
    Energy & Fuels
    DOI
    10.1021/acs.energyfuels.1c03442
    Additional Links
    https://pubs.acs.org/doi/10.1021/acs.energyfuels.1c03442
    ae974a485f413a2113503eed53cd6c53
    10.1021/acs.energyfuels.1c03442
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Chemical Engineering Program; Clean Combustion Research Center

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