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    Assessment of reference reaction models relevant for the oxidation of SiH4 with O2 against a comprehensive validation database

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    Type
    Conference Paper
    Authors
    Chatelain, Karl P. cc
    Alharbi, Reham
    Mével, Rémy
    Petersen, Eric L.
    Lacoste, Deanna cc
    KAUST Department
    King Abdullah University of Science and Technology (KAUST), Clean Combustion Research Center (CCRC), Thuwal, Saudi Arabia
    Mechanical Engineering Program
    Clean Combustion Research Center
    Physical Science and Engineering (PSE) Division
    Date
    2019-01-01
    Permanent link to this record
    http://hdl.handle.net/10754/666451
    
    Metadata
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    Abstract
    Although silane is one of the most widely used source of silicon for material synthesis, its chemical kinetics is still not completely understood. This study assesses the performances of three reference reaction models (Mével, PeOx, and Babushok) for Si-containing mixtures using a large range of experimental conditions (T = 801-1768 K and P = 91-138 kPa) relevant for the oxidation of SiH4 by O2. These three reference reaction models were previously used for a study on pyrolysis of SiH4 and Si2H6. The validation is performed subsequently on H2-O2 and SiH4-O2-diluent mixtures with and without H2 addition. The validation set is composed of more than 200 conditions including SiH4, SiH2, and OH* species profiles and characteristic reaction times based on pressure and OH* signals. This study evidences that (i) the three models satisfactory reproduce the data for H2-O2 mixtures; (ii) for SiH4-H2-O2 mixtures, Babushok's model overestimates SiH4 reactivity; (iii) while Mével and PeOx satisfactory reproduce the species profiles in most of the conditions, Mével has a lower mean absolute error (MAE), equals to 140 µs, on all temperature-resolved profiles compared to PeOx (192 µs) and Babushok (243 µs). As most of the present database rely on OH* profiles, more experimental data are required to assess the mechanisms and to better understand the SiH4 oxidation kinetics.
    Publisher
    Combustion Institute
    Conference/Event name
    12th Asia-Pacific Conference on Combustion, ASPACC 2019
    Additional Links
    https://www.researchgate.net/publication/334249291_Assessment_of_Reference_Reaction_Models_Relevant_for_the_Oxidation_of_SiH4_with_O2_Against_a_Comprehensive_Validation_Database
    Collections
    Conference Papers; Physical Science and Engineering (PSE) Division; Mechanical Engineering Program; Clean Combustion Research Center

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