A numerical study of multicomponent mass diffusion and convection in porous pellets for the sorption-enhanced steam methane reforming and desorption processes

Rout, Kumar Ranjan; Solsvik, Jannike; Nayak, Ameeya Kumar; Jakobsen, Hugo A.

doi:10.1016/j.ces.2011.05.040

Cited by 58 publications

(49 citation statements)

References 26 publications

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“…The time dependent governing equations for the different fixed bed reactor models are solved using the leastsquares spectral element methods (LS-SEM). [7,10,61] The basic idea in the LSM is to minimize the integral of the square of the residual over the computational domain.…”

Section: Model Solutionmentioning

confidence: 99%

“…Furthermore, the possibility of negative or asymptotic values of effectiveness factor cannot be ruled out for the SMR process. [7,25,29,31,32] Stutz et al [33] and Parisi and Laborde [34] have studied the catalytic surface reaction for the steam methane reforming reaction. Lutz et al [35] and Jannelli et al [36] have investigated the steam reforming system using the thermodynamic equilibrium state.…”

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confidence: 98%

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A numerical study of fixed bed reactor modelling for steam methane reforming process

Rout

Jakobsen

2015

Can J Chem Eng

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A numerical comparison of the pseudo-homogeneous, conventional heterogeneous, and simplified heterogeneous reactor models is performed for the steam methane reforming process. The pseudo-homogeneous reactor model consists of a set of partial differential equations, where the diffusional limitations are accounted for by considering the effectiveness factor. The heterogeneous model is divided into two categories: conventional and simplified heterogeneous models. In the conventional heterogeneous model, there are separate equations for the fluid phase species mass balance, the fluid inside the catalyst pores. This is type of reactor model is needed when there is a considerable amount of interphase mass transfer resistance present in the process. However, in the simplified heterogeneous reactor model the mass transport phenomenon is accounted for by accounting the efficiency factors. The model is validated against literature data. Several closures for the intra-particle mass diffusion fluxes, the Maxwell-Stefan, Wilke, dusty gas, and Wilke-Bosanquet models, have been compared on the level of the catalyst pellet and the impacts of the different particle flux closures on the reactor performance are investigated.The simulations show that the conventional heterogeneous reactor model is necessary for the SMR process, because the effectiveness factor values of different reactions of the SMR process vary along the reactor axis. The maximum deviation between the pseudo-homogeneous and the conventional heterogeneous reactor model is less than 38 %, whereas between the conventional and simplified heterogeneous reactor models it is less than 21 %. A parametric study of the transport phenomena on the pellet level is recommended prior to any large-scale reactor simulation to determine what the rate-determining transport mechanisms are.

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Section: Model Solutionmentioning

confidence: 99%

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confidence: 98%

A numerical study of fixed bed reactor modelling for steam methane reforming process

Rout

Jakobsen

2015

Can J Chem Eng

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“…Rout et al [11,12] and Solsvik and Jakobsen [16] did study the impact of multi-component diffusion fluxes (i.e., bulk multicomponent diffusion, Knudsen diffusion, and product layer diffusion) in CaO based sorbent particle and pellets using both natural and synthetic sorbents.…”

Section: Sorption Enhanced Steam Methane Reformingmentioning

confidence: 98%

Packed Bed Reactors

Jakobsen

2014

Chemical Reactor Modeling

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“…On the other hand, the mole based diffusion flux models are not consistent with the continuum mechanical reactive flow model as the fundamental energy and momentum balances are conventionally derived based on the mass average velocity definition due to the physical laws applied; the Navier-Stokes and first laws of thermodynamics. However, the novel mass based pellet equations are adopted in the recent modeling work of Kuijlaars et al [77], Rout et al [121] and Solsvik and Jakobsen [136,138,140]. For the steam methane reforming (SMR) process, methanol synthesis, and dimethyl ether production, Solsvik and Jakobsen [136,138] derived a pellet model on both a mass and mole basis and compared the simulation results of the two model formulations.…”

Section: Relevance and Previous Investigationsmentioning

confidence: 99%

“…For this investigation, the methanol synthesis operated in a fixed packed bed reactor was the chemical process adopted. In the mathematical modeling study of a novel combined catalyst/sorbent pellet, Rout et al [121] investigated the performance of the sorption-enhanced steam methane reforming (SE-SMR) process at the level of a single pellet. Different closures for multicomponent mass diffusion fluxes, the effect of viscous flow, and the significance of Knudsen diffusion were analyzed.…”

Section: Relevance and Previous Investigationsmentioning

confidence: 99%

Elementary Kinetic Theory of Gases

Jakobsen

2014

Chemical Reactor Modeling

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It is convenient to introduce the notion of collisional invariants (or summational invariants) (e.g., [55], p. 460; [90], p. 150). The validity of (2.211) is commonly justified by the following arguments: Due to the symmetry properties of the collision term expression, interchanging variables gives the following equalities:These symmetry properties can be combined to give the following relationship:The linearity of the J operator allows the latter result to be manipulated as:In conclusion, a function ψ(c) is a summation invariant if:

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A numerical study of multicomponent mass diffusion and convection in porous pellets for the sorption-enhanced steam methane reforming and desorption processes

Cited by 58 publications

References 26 publications

A numerical study of fixed bed reactor modelling for steam methane reforming process

A numerical study of fixed bed reactor modelling for steam methane reforming process

Packed Bed Reactors

Elementary Kinetic Theory of Gases

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