Hybrid finite-volume/transported PDF method for the simulation of turbulent reactive flows

dc.contributor.advisor Rodney O. Fox
dc.contributor.author Raman, Venkatramanan
dc.contributor.department Chemical and Biological Engineering
dc.date 2018-08-24T19:49:49.000
dc.date.accessioned 2020-06-30T07:37:43Z
dc.date.available 2020-06-30T07:37:43Z
dc.date.copyright Wed Jan 01 00:00:00 UTC 2003
dc.date.issued 2003-01-01
dc.description.abstract <p>A novel computational scheme is formulated for simulating turbulent reactive flows in complex geometries with detailed chemical kinetics. A Probability Density Function (PDF) based method that handles the scalar transport equation is coupled with an existing Finite Volume (FV) Reynolds-Averaged Navier-Stokes (RANS) flow solver. The PDF formulation leads to closed chemical source terms and facilitates the use of detailed chemical mechanisms without approximations. The particle-based PDF scheme is modified to handle complex geometries and grid structures. Grid-independent particle evolution schemes that scale linearly with the problem size are implemented in the Monte-Carlo PDF solver. A novel algorithm, in situ adaptive tabulation (ISAT) is employed to ensure tractability of complex chemistry involving a multitude of species. Several non-reacting test cases are performed to ascertain the efficiency and accuracy of the method. Simulation results from a turbulent jet-diffusion flame case are compared against experimental data. The effect of micromixing model, turbulence model and reaction scheme on flame predictions are discussed extensively. Finally, the method is used to analyze the Dow Chlorination Reactor. Detailed kinetics involving 37 species and 158 reactions as well as a reduced form with 16 species and 21 reactions are used. The effect of inlet configuration on reactor behavior and product distribution is analyzed. Plant-scale reactors exhibit quenching phenomena that cannot be reproduced by conventional simulation methods. The FV-PDF method predicts quenching accurately and provides insight into the dynamics of the reactor near extinction. The accuracy of the fractional time-stepping technique in discussed in the context of apparent multiple-steady states observed in a non-premixed feed configuration of the chlorination reactor.</p>
dc.format.mimetype application/pdf
dc.identifier archive/lib.dr.iastate.edu/rtd/1458/
dc.identifier.articleid 2457
dc.identifier.contextkey 6094358
dc.identifier.doi https://doi.org/10.31274/rtd-180813-12097
dc.identifier.s3bucket isulib-bepress-aws-west
dc.identifier.submissionpath rtd/1458
dc.identifier.uri https://dr.lib.iastate.edu/handle/20.500.12876/68121
dc.language.iso en
dc.source.bitstream archive/lib.dr.iastate.edu/rtd/1458/r_3105101.pdf|||Fri Jan 14 20:22:33 UTC 2022
dc.subject.disciplines Applied Mechanics
dc.subject.disciplines Chemical Engineering
dc.subject.disciplines Fluid Dynamics
dc.subject.disciplines Plasma and Beam Physics
dc.subject.keywords Chemical engineering
dc.title Hybrid finite-volume/transported PDF method for the simulation of turbulent reactive flows
dc.type article
dc.type.genre dissertation
dspace.entity.type Publication
relation.isOrgUnitOfPublication 86545861-382c-4c15-8c52-eb8e9afe6b75
thesis.degree.level dissertation
thesis.degree.name Doctor of Philosophy
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