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    Toluene destruction in the Claus process by sulfur dioxide: A reaction kinetics study

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    Type
    Article
    Authors
    Sinha, Sourab
    Raj, Abhijeet Dhayal
    Alshoaibi, Ahmed S.
    Alhassan, Saeed M.
    Chung, Suk Ho cc
    KAUST Department
    Clean Combustion Research Center
    Combustion and Laser Diagnostics Laboratory
    Mechanical Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2014-10-07
    Online Publication Date
    2014-10-07
    Print Publication Date
    2014-10-22
    Permanent link to this record
    http://hdl.handle.net/10754/563804
    
    Metadata
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    Abstract
    The presence of aromatics such as benzene, toluene, and xylene (BTX) as contaminants in the H2S gas stream entering Claus sulfur recovery units has a detrimental effect on catalytic reactors, where BTX forms soot particles and clogs and deactivates the catalysts. BTX oxidation, before they enter catalyst beds, can solve this problem. A theoretical investigation is presented on toluene oxidation by SO2. Density functional theory is used to study toluene radical (benzyl, o-methylphenyl, m-methylphenyl, and p-methylphenyl)-SO2 interactions. The mechanism begins with SO2 addition on the radical through one of the O atoms rather than the S atom. This exothermic reaction involves energy barriers of 4.8-6.1 kJ/mol for different toluene radicals. Thereafter, O-S bond scission takes place to release SO. The reaction rate constants are evaluated to facilitate process simulations. Among four toluene radicals, the resonantly stabilized benzyl radical exhibited lowest SO2 addition rate. A remarkable similarity between toluene oxidation by O2 and by SO2 is observed.
    Citation
    Sinha, S., Raj, A., AlShoaibi, A. S., Alhassan, S. M., & Chung, S. H. (2014). Toluene Destruction in the Claus Process by Sulfur Dioxide: A Reaction Kinetics Study. Industrial & Engineering Chemistry Research, 53(42), 16293–16308. doi:10.1021/ie502617r
    Sponsors
    This work has been financially supported by the Gas Processing and Materials Science Research Centre, The Petroleum Institute, UAE.
    Publisher
    American Chemical Society (ACS)
    Journal
    Industrial & Engineering Chemistry Research
    DOI
    10.1021/ie502617r
    ae974a485f413a2113503eed53cd6c53
    10.1021/ie502617r
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Mechanical Engineering Program; Clean Combustion Research Center

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