Application of a CFD code (FLUENT) to formulate models of catalytic gas phase reactions in porous catalyst pellets

S T Kolaczkowski, R Chao, S Awdry, A Smith

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Abstract

A method is described by which a computational fluid dynamic (CFD) code known as FLUENT, may be adapted to model the reactions that take place inside catalyst structures. To test the CFD code, simulations of gas flow in a circular tube are performed and compared with anal. solns. Then the coupled processes of diffusion and chem. reaction, combined with heat and mass transfer effects are modeled in a catalyst pellet. To illustrate the technique, the catalytic combustion of propane is simulated in spherical and cylindrical shaped pellets, at gas temps. from 500-700 K and at atm. pressure. To help validate the approach adopted, the results of the CFD simulations are compared with solns. obtained from a one-dimensional model using MATLAB. It is shown that the CFD simulations provide comparable results with MATLAB, and that the CFD code can provide valuable addnl. information about temp. and concn. gradients in and around the catalyst pellet-this is not available in a simple one-dimensional approach. It is discussed how the technique could be extended to model reactions in a packed bed which would be a valuable design tool.
LanguageEnglish
Pages1539-1552
Number of pages14
JournalChemical Engineering Research & Design
Volume85
Issue numberA11
StatusPublished - 2007

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Computational fluid dynamics
Gases
Catalysts
MATLAB
Propane
Computer simulation
Packed beds
Flow of gases
Mass transfer
Heat transfer

Keywords

  • gas phase reaction porous catalyst pellet modeling FLUENT code
  • Mass transfer (application of computational fluid dynamic code to formulate models of catalytic gas phase reactions in porous catalyst pellets)
  • Catalysts (porous
  • Reaction (gas-phase
  • application of computational fluid dynamic code to formulate models of catalytic gas phase reactions in porous catalyst pellets)
  • Heat transfer
  • Combustion

Cite this

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title = "Application of a CFD code (FLUENT) to formulate models of catalytic gas phase reactions in porous catalyst pellets",
abstract = "A method is described by which a computational fluid dynamic (CFD) code known as FLUENT, may be adapted to model the reactions that take place inside catalyst structures. To test the CFD code, simulations of gas flow in a circular tube are performed and compared with anal. solns. Then the coupled processes of diffusion and chem. reaction, combined with heat and mass transfer effects are modeled in a catalyst pellet. To illustrate the technique, the catalytic combustion of propane is simulated in spherical and cylindrical shaped pellets, at gas temps. from 500-700 K and at atm. pressure. To help validate the approach adopted, the results of the CFD simulations are compared with solns. obtained from a one-dimensional model using MATLAB. It is shown that the CFD simulations provide comparable results with MATLAB, and that the CFD code can provide valuable addnl. information about temp. and concn. gradients in and around the catalyst pellet-this is not available in a simple one-dimensional approach. It is discussed how the technique could be extended to model reactions in a packed bed which would be a valuable design tool.",
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author = "Kolaczkowski, {S T} and R Chao and S Awdry and A Smith",
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T1 - Application of a CFD code (FLUENT) to formulate models of catalytic gas phase reactions in porous catalyst pellets

AU - Kolaczkowski,S T

AU - Chao,R

AU - Awdry,S

AU - Smith,A

PY - 2007

Y1 - 2007

N2 - A method is described by which a computational fluid dynamic (CFD) code known as FLUENT, may be adapted to model the reactions that take place inside catalyst structures. To test the CFD code, simulations of gas flow in a circular tube are performed and compared with anal. solns. Then the coupled processes of diffusion and chem. reaction, combined with heat and mass transfer effects are modeled in a catalyst pellet. To illustrate the technique, the catalytic combustion of propane is simulated in spherical and cylindrical shaped pellets, at gas temps. from 500-700 K and at atm. pressure. To help validate the approach adopted, the results of the CFD simulations are compared with solns. obtained from a one-dimensional model using MATLAB. It is shown that the CFD simulations provide comparable results with MATLAB, and that the CFD code can provide valuable addnl. information about temp. and concn. gradients in and around the catalyst pellet-this is not available in a simple one-dimensional approach. It is discussed how the technique could be extended to model reactions in a packed bed which would be a valuable design tool.

AB - A method is described by which a computational fluid dynamic (CFD) code known as FLUENT, may be adapted to model the reactions that take place inside catalyst structures. To test the CFD code, simulations of gas flow in a circular tube are performed and compared with anal. solns. Then the coupled processes of diffusion and chem. reaction, combined with heat and mass transfer effects are modeled in a catalyst pellet. To illustrate the technique, the catalytic combustion of propane is simulated in spherical and cylindrical shaped pellets, at gas temps. from 500-700 K and at atm. pressure. To help validate the approach adopted, the results of the CFD simulations are compared with solns. obtained from a one-dimensional model using MATLAB. It is shown that the CFD simulations provide comparable results with MATLAB, and that the CFD code can provide valuable addnl. information about temp. and concn. gradients in and around the catalyst pellet-this is not available in a simple one-dimensional approach. It is discussed how the technique could be extended to model reactions in a packed bed which would be a valuable design tool.

KW - gas phase reaction porous catalyst pellet modeling FLUENT code

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KW - Catalysts (porous

KW - Reaction (gas-phase

KW - application of computational fluid dynamic code to formulate models of catalytic gas phase reactions in porous catalyst pellets)

KW - Heat transfer

KW - Combustion

M3 - Article

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SP - 1539

EP - 1552

JO - Chemical Engineering Research & Design

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JF - Chemical Engineering Research & Design

SN - 0263-8762

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