Numerical analysis of jet‐stirred reactors with turbulent flows and homogeneous reactions

Liu, Chih-Hsiung; Barkelew, C. H.

doi:10.1002/aic.690321106

Cited by 17 publications

(8 citation statements)

References 12 publications

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“…Several global mechanisms involving a reduced number of species with multistep reactions have been used in twoor three-dimensional geometries with limited success. 4,5 Most of these schemes assume that the inlet has completely premixed reactants. The reaction scheme, in itself, exhibits nonlinear behavior that can lead to instabilities.…”

Section: Introductionmentioning

confidence: 99%

“…Simulation strategies invoke one of the two simplifications simplified flow dynamics or global chemistry schemes. [3][4][5] In the past, simple flow models such as the continuous stirred tank reactor (CSTR), plug flow, and combinations of such simple configurations have been used to study the reactor. These approaches do not account for the effect of turbulence on reaction.…”

Section: Introductionmentioning

confidence: 99%

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

Raman¹,

Fox²,

Harvey

et al. 2003

Ind. Eng. Chem. Res.

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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 finitevolume (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. 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 prod...

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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

Raman¹,

Fox²,

Harvey

et al. 2003

Ind. Eng. Chem. Res.

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“…Unlike combustion, most chemical processes involve finite-rate chemistry. In the recent past, use of detailed simulation techniques for reactor analysis leading further to design and scale-up has become a common strategy [Tsai and Pox, 1994;Pipino and Fox, 1994;Acharya et al, 1991;Deutschmann and Schmidt, 1998;Liu and Barkelew, 1985;Tirtowidjo, 1997;Tsai and Fox, 1996;Kolhapure and Fox, 1999;Shah and Fox, 1999;Raman et al, 2001]. Simula tions are complicated by the mining effects since the nature of the chemical mechanism can lead to regimes where both micromixing and reaction have overlapping time scales.…”

Section: Different Sow Solvers Have Been Used In the Hybrid Formulatimentioning

confidence: 99%

“…The flow in the coaxial reactor used for chlorination is turbulent, and direct nu merical simulations of the fundamental transport equations are rendered intractable by the complex interaction between turbulence and reaction. Simulation strategies invoke one of the two simplifications -simplified flow dynamics or global chemistry schemes [West et al, 1999;Liu and Barkelew, 1985;Acharya et al, 1991]. In the past, simple flow models like the CSTR, plug-flow and combinations of such simple configurations have been used to study the reactor.…”

Section: Different Sow Solvers Have Been Used In the Hybrid Formulatimentioning

confidence: 99%

“…In the past, use of more complete flow models has required that the numerical stiffness associated with the free-radical kinetic mechanism be reduced. Several global mecha nisms involving a reduced number of species with multi-step reactions have been used in two or three dimensional geometries with limited success [Liu and Barkelew, 1985;Acharya et al, 1991]. Most of these schemes assume that the inlet has completely premixed reactants.…”

Section: Different Sow Solvers Have Been Used In the Hybrid Formulatimentioning

confidence: 99%

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

Raman

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The quality of this reproduction is dependent upon the quality of the copy submitted. Broken or indistinct print, colored or poor quality illustrations and photographs, print bleed-through, substandard margins, and improper alignment can adversely affect reproduction. In the unlikely event that the author did not send a complete manuscript and there are missing pages, these will be noted. Also, if unauthorized copyright material had to be removed, a note will indicate the deletion.

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Three‐dimensional turbulent flow in agitated vessels with a nonisotropic viscosity turbulence model

Mulvahill

Pike

1990

Can J Chem Eng

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Solutions of the time‐averaged equations of motion with a nonisotropic k‐e model were developed for the three‐dimensional turbulent flow field in turbine stirred tanks. These results were validated with the measurements of three velocity components with a hot wire anemometer and literature data. The nonisotropic turbulence model considered the rotation and curvature effect of the turbulence with a turbulent Richardson number term and accounted for the important three‐dimensional effects through the nonisotropy of the viscosity. Also, it was found that a frequently used isotropic k‐ϵ turbulence model did not describe this three‐dimensional turbulent flow field.

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Numerical analysis of jet‐stirred reactors with turbulent flows and homogeneous reactions

Cited by 17 publications

References 12 publications

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

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

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

Three‐dimensional turbulent flow in agitated vessels with a nonisotropic viscosity turbulence model

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