Assessment of a POD method for the dynamical analysis of a catalyst pellet with simultaneous chemical reaction, adsorption and diffusion: Uniform temperature case

Bizon, Katarzyna

doi:10.1016/j.compchemeng.2016.11.009

Cited by 8 publications

(2 citation statements)

References 25 publications

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“…A classical strategy based on a finite difference method was used to discretize the pellet model, both in the case of the system of two elementary reversible chemical reactions and the direct synthesis of DME from syngas. Second-order differential Equations (20)- (22) with boundary conditions (Equations (25) and (26)) were transformed into a system of 3N nonlinear algebraic equations by approximation of the derivatives in N = 51 nodes, equally spaced along the particle radius, using central difference schemes [38]:…”

Section: Numerical Solution Of the Model Equationsmentioning

confidence: 99%

Intensification of Catalytic Processes through the Pellet Structuring: Steady-State Properties of a Bifunctional Catalyst Pellet Applied to Generic Chemical Reactions and the Direct Synthesis of DME

et al. 2019

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Structuring of different types of catalytic active centers at a single-pellet level appears to be a promising and powerful tool for integration and intensification of multistep solid-catalyzed chemical reactions. However, the enhancement in the product yield and selectivity strongly depends on the proper choice of the distribution of different catalysts within the pellet. To demonstrate potential benefits from properly designed catalyst pellet, numerical studies were conducted with the aid of the mathematical model of a single spherical bifunctional catalyst pellet. The analysis was performed both for a system of two generic chemical reactions and for a real process, i.e., direct synthesis of dimethyl ether (DME) from synthesis gas via methanol. Evaluation of the pellet performance was done for three arrangements of the catalytic active sites within the pellet, i.e., a uniform distribution of two types of catalytic active centers in the entire volume of the pellet, and two core–shell structures. It was demonstrated that, especially for the larger pellets typical for fixed-bed applications, the product yield might be significantly improved by selecting proper catalyst arrangements within the pellet.

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Section: Numerical Solution Of the Model Equationsmentioning

confidence: 99%

Intensification of Catalytic Processes through the Pellet Structuring: Steady-State Properties of a Bifunctional Catalyst Pellet Applied to Generic Chemical Reactions and the Direct Synthesis of DME

et al. 2019

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“…The applicability range of the models is broad. It starts from the effectiveness factor value determination for both steady-state and transient problems [12][13][14][15][16] by finding approximate analytical or numerical solutions for models in chemical or biochemical fields [17][18][19][20][21][22][23][24] and ending with using the approximate model as part of a more complex model, for example, for a heterogeneous or biochemical reactor [25][26][27][28][29][30][31]. The examples presented are only the selection, and they indicate that the area of application of approximate models is large and still enlarges.…”

Section: Introductionmentioning

confidence: 99%

Generalized Linear Driving Force Formulas for Diffusion and Reaction in Porous Catalysts

Szukiewicz,

Chmiel-Szukiewicz

2024

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Approximate models are a fast and most often precise tool for determining the effectiveness factor for heterogeneous catalysis processes that are realized in the real world. They are also frequently applied as robust transient models describing the work of a single catalyst pellet or as a part of a more complex model, for example, a reactor model, where mass balances for the gas phase and solid phase are necessary. So far, approximate models for diffusion and reaction processes have been presented for processes described by a single balance equation. In the present work, approximate models without the mentioned limitation are presented and discussed. In addition, simple rules are shown for the development of other complex approximate models without tedious derivation in the complex domain. The formulas considered in this work are typical long-time approximations of the transient process. The accuracy is good, especially in the range of small and intermediate Thiele modulus values.

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The Computational Study of Fluid Diffusion through Complex Porous Media in the Presence of Gravitational Force and at Different Temperatures Using Image Processing Technique and D3Q27 Model of Lattice Boltzmann Method

Zahedi

Vakili

2023

Iran J Sci Technol Trans Mech Eng

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Assessment of a POD method for the dynamical analysis of a catalyst pellet with simultaneous chemical reaction, adsorption and diffusion: Uniform temperature case

Cited by 8 publications

References 25 publications

Intensification of Catalytic Processes through the Pellet Structuring: Steady-State Properties of a Bifunctional Catalyst Pellet Applied to Generic Chemical Reactions and the Direct Synthesis of DME

Intensification of Catalytic Processes through the Pellet Structuring: Steady-State Properties of a Bifunctional Catalyst Pellet Applied to Generic Chemical Reactions and the Direct Synthesis of DME

Generalized Linear Driving Force Formulas for Diffusion and Reaction in Porous Catalysts

The Computational Study of Fluid Diffusion through Complex Porous Media in the Presence of Gravitational Force and at Different Temperatures Using Image Processing Technique and D3Q27 Model of Lattice Boltzmann Method

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