Effect of Feed-Stream Configuration on Gas-Phase Chlorination Reactor Performance

dc.contributor.author Raman, Venkatramanan
dc.contributor.author Fox, Rodney
dc.contributor.author Fox, Rodney
dc.contributor.author Harvey, Albert
dc.contributor.author West, David
dc.contributor.department Chemical and Biological Engineering
dc.date 2018-02-14T01:09:18.000
dc.date.accessioned 2020-06-30T01:10:58Z
dc.date.available 2020-06-30T01:10:58Z
dc.date.copyright Wed Jan 01 00:00:00 UTC 2003
dc.date.embargo 2014-05-08
dc.date.issued 2003-01-01
dc.description.abstract <p>Chlorination of hydrocarbons is an industrially important process used for the production of commercially viable environmentally friendly chemicals. The highly exothermic nature of these reactions necessitates a thorough study of reactor stability and product feasibility. Here, computational fluid dynamics (CFD) is used to analyze the performance of a coaxial rightcylindrical insulated reactor for different inlet flow configurations. Chlorination reactions involve a large number of radicals and other intermediates, and hence, direct simulations using traditional CFD techniques are difficult because of the stiff nature of the reaction scheme involved. A novel algorithm for reaction computation, in situ adaptive tabulation (ISAT), is used to obtain considerable computational gains. The joint probability density function (JPDF) transport equation for the scalars with closed terms for reaction is solved using a Monte Carlo particle algorithm in tandem with a finite-volume (FV) Reynolds-averaged Navier-Stokes (RANS) method. The particle method handles transport of 15 scalars along with enthalpy and feeds back mean field values of temperature and molecular weight that are used by the FV code to correct the flow for reaction. The scalar scatter plots conditioned on the mixture fraction are used to study the details of the kinetics in different reactor zones. Comparison of premixed and segregated inlets is done to determine reactor stability and product yield. Conclusions are then drawn about fundamental properties of the reactor and broad considerations for reactor design.</p>
dc.description.comments <p>This article is from <em>Industrial & Engineering Chemistry Research</em> 42 (2003): 2544-2557, doi: <a href="http://dx.doi.org/10.1021/ie0206599">10.1021/ie0206599</a>. Posted with permission.</p>
dc.format.mimetype application/pdf
dc.identifier archive/lib.dr.iastate.edu/cbe_pubs/99/
dc.identifier.articleid 1100
dc.identifier.contextkey 5561479
dc.identifier.s3bucket isulib-bepress-aws-west
dc.identifier.submissionpath cbe_pubs/99
dc.identifier.uri https://dr.lib.iastate.edu/handle/20.500.12876/13602
dc.language.iso en
dc.source.bitstream archive/lib.dr.iastate.edu/cbe_pubs/99/2003_FoxRO_EffectOfFeed_streamConfiguration.pdf|||Sat Jan 15 02:38:59 UTC 2022
dc.source.uri 10.1021/ie0206599
dc.subject.disciplines Catalysis and Reaction Engineering
dc.subject.disciplines Chemical Engineering
dc.title Effect of Feed-Stream Configuration on Gas-Phase Chlorination Reactor Performance
dc.type article
dc.type.genre article
dspace.entity.type Publication
relation.isAuthorOfPublication 75da3185-b167-47f1-977f-b54aa85bd649
relation.isOrgUnitOfPublication 86545861-382c-4c15-8c52-eb8e9afe6b75
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