Particle resolved CFD simulation on vapor-phase synthesis of vinyl acetate from ethylene in fixed-bed reactor

Li, Yonghui; Wang, Mingkai; Cao, Xingxing; Geng, Zhongfeng

doi:10.1007/s11814-020-0500-y

Cited by 8 publications

(3 citation statements)

References 29 publications

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“…The catalytic reaction for VAM production is not industrially feasible at this temperature, because it needs an excess of heat removal, [ 62 ] which is attributed to loss of stability of metallic particles. [ 63 ] Therefore to maintain stable the kinetics and the productivity for the production of VAM, the stabilization cycle must be maintained under mild conditions. [ 64 ] Moreover, the catalyst deactivation can be avoided maintaining the surface intermediates under extreme conditions.…”

Section: Resultsmentioning

confidence: 99%

Synthesis of Vinyl Acetate Monomer Over PdCu Alloys: The Role of Surface Oxygenation in the Reaction Path

Gonzalez Caranton,

Schmal,

Checca Huaman

et al. 2023

Macro Reaction Engineering

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This work uses sol–gel and sonochemical methods to prepare bimetallic PdCu catalysts supported on modified ZrO2 with Ti and Al. The catalysts are tested for vinyl acetate synthesis from ethylene, acetic acid, and oxygen, varying the reaction temperature for two catalysts prepared, which show higher activity. Catalysts characterization results show bimetallic species and distort alloys with a dispersed distribution of active metal onto the support. The in situ reaction by DRIFT‐MS identifies the surface formation of main intermediates like palladium acetate monomers and mono and bidentate intermediates, associated to vinyl acetate formation, like vinyl hydrogenated species over PdCu. Finally, this behavior will be attributed to the bimetallic distortions of PdCu samples, provided by interaction effects between PdCu and supports, indicating a more exposition of PdCu species suitable for the reaction, according to high‐resolution transmission microscopy electron microscopy results for PdCu/ZrTi sample. Thus, this sample exhibits a minimal formation of sub‐products and catalytic stability for 18 hh. These results evidence the participation of hydroxyls and oxygen vacancies of the catalyst in the catalytic reaction measured in situ, monitoring the products formed at the reactor outlet. Finally, it is proposed a reaction pathway as a function of reaction conditions.

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Section: Resultsmentioning

confidence: 99%

Synthesis of Vinyl Acetate Monomer Over PdCu Alloys: The Role of Surface Oxygenation in the Reaction Path

Gonzalez Caranton,

Schmal,

Checca Huaman

et al. 2023

Macro Reaction Engineering

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show abstract

“…Accordingly, it is more reasonable and practical to study only a sole section of a PBC or a PBR using CFD instead of entire bed as calculations significantly grow because of high mesh numbers. Further, to address the outlined issues, some simplifying assumptions can be considered such as imposing axially translational periodic boundaries 55–59, and modifying the particle‐particle or particle‐wall contact points 58, 60–63.…”

Section: Introductionmentioning

confidence: 99%

Heat Transfer at a Particle‐Tube Wall Contact Point: Impact of Catalyst Configuration on Hot Spots

2021

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Hot spots tend to cause serious problems owing to probable damages to the reactor wall in intense endothermic reactions leading to safety concerns and enormous repairing costs. The heat transfer of a single cylindrical particle is studied empirically and numerically to evaluate hot spot creation close to the bed wall. Computational fluid dynamcis (CFD) methodology is used to solve the momentum, continuity, and energy equations simultaneously. The newly developed experimental method is applied to validate simulation data using the Chilton‐Colburn analogy. The particle rotation over the X, Y, and Z axes is studied and analysis of variance (ANOVA) is employed to statistically investigate the particle rotation effects on the dimensionless maximum temperature of the reactor wall.

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“…Alexis et al 14 established a method for predicting vegetable oil with a dynamic drip bed reactor model for the distribution of reactants and products during catalytic hydrogenation. Li et al 15 used the discrete element method to simulate the packing process of catalyst particles in a fixed-bed reactor. Cesar et al 16 established a 1D quasi-homogeneous fixedbed Fischer-Tropsch reactor kinetic model under nonisothermal conditions.…”

Section: Introductionmentioning

confidence: 99%

Simulation of catalytic toluene alkylation with methanol in fixed‐bed reactors

Fan

Wang

et al. 2020

Int J of Chemical Kinetics

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Toluene alkylation with methanol could serve as a green "molecular engineering" to produce para-xylene (PX). However, the conversion and para-selectivity are the key index to the application of this technology. Based on the reaction network and kinetics, the fixed-bed models were introduced to analyze and optimize the para-selectivity at reactor level. After the validation with the experimental results, the analysis of reaction kinetics showed that increasing temperature not only improves the main reaction rate, toluene conversion, and para-selectivity, but also inhibits the competitiveness of methanol autocatalytic reaction, while higher feed molar ratio of toluene to methanol will suppress the olefins formation but reduce the conversion and promote the polymethylation process with a sharper temperature rise. Then, the one-and three-dimensional model demonstrated that the conditions of 500-520 • C, feed molar ratio of 2-3 would be favorable to the para-selectivity, and keeping the wall 20-30 • C above the inlet temperature is beneficial for conversion, selectivity, and temperature control. These results have certain guiding value for the choice of reactor condition and further reactor design.

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Particle resolved CFD simulation on vapor-phase synthesis of vinyl acetate from ethylene in fixed-bed reactor

Cited by 8 publications

References 29 publications

Synthesis of Vinyl Acetate Monomer Over PdCu Alloys: The Role of Surface Oxygenation in the Reaction Path

Synthesis of Vinyl Acetate Monomer Over PdCu Alloys: The Role of Surface Oxygenation in the Reaction Path

Heat Transfer at a Particle‐Tube Wall Contact Point: Impact of Catalyst Configuration on Hot Spots

Simulation of catalytic toluene alkylation with methanol in fixed‐bed reactors

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