Correlations between local conversion and hydrodynamics in a 3-D fixed-bed esterification process: An MRI and lattice-Boltzmann study

Yuen, E.H.L.; Sederman, Andrew J.; Sani, Faghihi; Alexander, Paul; Gladden, Lynn F.

doi:10.1016/s0009-2509(02)00586-9

Cited by 46 publications

(37 citation statements)

References 8 publications

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“…9) [111]. Lattice-Boltzmann-methods (LBM) have also been applied for a better understanding of fluid flow in complex reactor configurations [42,43,112]. The packing of spheres in cylindrical columns can be created either from experimental observations, such as magnetic resonance imaging (MRI), or by computer simulations.…”

Section: Complex Flows Structures: Catalytic Fixed Bed Reactorsmentioning

confidence: 99%

“…This approach allowed the prediction of the local fluid velocity distribution in the bed as well as the transport and rate of simple chemical reactions. Yuen et al [112] studied correlations between local conversion and hydrodynamics in a 3D fixed-bed esterification process by applying a LBM and comparing its results with data from in situ magnetic resonance visualization techniques.…”

Section: Complex Flows Structures: Catalytic Fixed Bed Reactorsmentioning

confidence: 99%

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Modeling of the Interactions Between Catalytic Surfaces and Gas-Phase

Deutschmann

2014

Catal Lett

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The catalytic surface interacts with the gasphase by a variety of chemical and physical processes. Hence, optimization of design and operation conditions of catalytic reactors do not only require the understanding of the catalytic reaction sequence but also its coupling with mass and heat transport and potential homogeneous reactions. The chemical, thermal, and mass-transport interactions between the catalytic surface and the gas-phase are discussed in terms of the individual and combined interactions. The state-of-the-art modelling of reactive flows and its coupling with the catalytic surface is summarized. The interactions are illustrated by a number of examples such as reforming of hydrocarbons, catalytic combustion, exhaust-gas after-treatment, each focusing on a special aspect of catalyst-gas interactions. The potentials and limitations of the numerical simulations will be discussed including experimental techniques for model validation.

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Section: Complex Flows Structures: Catalytic Fixed Bed Reactorsmentioning

confidence: 99%

Section: Complex Flows Structures: Catalytic Fixed Bed Reactorsmentioning

confidence: 99%

Modeling of the Interactions Between Catalytic Surfaces and Gas-Phase

Deutschmann

2014

Catal Lett

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“…Recently, Lattice-Boltzmann-methods (LBM) have been applied for a better understanding of fluid flow in complex reactor configurations [87,88,134] . The packing of spheres in cylindrical columns can be created either from experimental observations, such as magnetic resonance imaging (MRI), or by computer simulations.…”

Section: Fixed Bed Reactorsmentioning

confidence: 99%

“…Yuen et al [134] studied correlations between local conversion and hydrodynamics in a 3D fixed-bed esterification process by applying a LBM and comparing its results with data from in situ magnetic resonance visualization techniques.…”

Section: Fixed Bed Reactorsmentioning

confidence: 99%

Computational Fluid Dynamics Simulation of Catalytic Reactors

Deutschmann

2008

Handbook of Heterogeneous Catalysis

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Catalytic reactors are generally characterized by the complex interaction of various physical and chemical processes. Monolithic reactors can serve as example, in which partial oxidation and reforming of hydrocarbons, combustion of natural gas, and the reduction of pollutant emissions from automobiles are frequently carried out. Figure 1 illustrates the physics and chemistry in a catalytic combustion monolith that glows at a temperature of about 1300 K due to the exothermic oxidation reactions. In each channel of the monolith, the transport of momentum, energy, and chemical species occurs not only in flow (axial) direction, but also in radial direction. The reactants diffuse to the inner channel wall, which is coated with the catalytic material, where the gaseous species adsorb and react on the surface. The products and intermediates desorb and diffuse back into the bulk flow. Due to the high temperatures, the chemical species may also react homogeneously in the gas phase. In catalytic reactors, the catalyst material is often dispersed in porous structures like washcoats or pellets. Mass transport in the fluid phase and chemical reactions are then superimposed by diffusion of the species to the active catalytic centers in the pores. The temperature distribution depends on the interaction of heat convection and conduction in the fluid, heat release due to chemical reactions, heat transport in the solid material, and thermal radiation. If the feed conditions vary in time and space and/or heat transfer occurs between the reactor and the ambience, a non-uniform temperature distribution over the entire monolith will result, and the behavior will differ from channel to channel.Today, the challenge in catalysis is not only the development of new catalysts to synthesize a desired product, but also the understanding of the interaction of the catalyst with the surrounding reactive flow field. Sometimes, the exploitation of these interactions can lead to

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“…The fi xed-bed modelling by CFD techniques has been performed by Lattice Boltzmann method (LBM) or based on the fi nite-volume/ element solution of the continuum equations. The fi rst approach, LBM has been used for the simulations of fi xed beds of spheres to analyze isothermal fl ow fi elds with chemical reactions [11][12] . The method has not been successful in including heat transfer.…”

Section: Introductionmentioning

confidence: 99%

Modelling of heat transfer in a packed bed column

Pianko‐Oprych

2011

Polish Journal of Chemical Technology

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The CFD modelling of heat transfer in the packed bed column in the laminar and turbulent fl ow regimes has been presented. Three numerical grids with different densities were generated for the packed bed column. The modelling was performed with the use of the Porous Media Model for treating the fl ow inside a porous structure. The standard k- model along with the logarithmic wall functions for the turbulent fl ow range was used. The infl uence of the mesh size on the accuracy of the fl uid fl ow was studied. Both radial and axial direction temperature distributions have been compared with the experimental data 1 and the values calculated from a 2DADPF model. A good agreement between the experimental and the predicted values of the pressure drop, temperature distributions and heat transfer coeffi cient was obtained.

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Correlations between local conversion and hydrodynamics in a 3-D fixed-bed esterification process: An MRI and lattice-Boltzmann study

Cited by 46 publications

References 8 publications

Modeling of the Interactions Between Catalytic Surfaces and Gas-Phase

Modeling of the Interactions Between Catalytic Surfaces and Gas-Phase

Computational Fluid Dynamics Simulation of Catalytic Reactors

Modelling of heat transfer in a packed bed column

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