CFD modeling of catalyst pellet for oxidative coupling of methane: Heat transfer and reaction

Maghrebi, Ramin; Yaghobi, Nakisa; Seyednejadian, Siavash; Tabatabaei, Mitra Hashemi

doi:10.1016/j.partic.2012.08.008

Cited by 5 publications

(5 citation statements)

References 21 publications

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“…This kind of detailed description of a catalytic reactor can be implemented with the help of a computational fluid dynamics (CFD) approach. However, the CFD simulation of catalytic reactors still constitutes an emerging research field, explaining the limited number of studies that are available in the literature [15][16][17][18][19][20][21][22][23].…”

Section: Introductionmentioning

confidence: 99%

“…The reaction term was implemented on an external subroutine (UDF) and coupled to the CFD code. The authors compared the obtained numerical results with the available experimental data and concluded that the temperature was the most sensitive parameter in the analyzed OCM reaction network, showing that no significant temperature gradients were expected to occur inside a single pellet [21,22]. It is important to note that the interactions between the gas phase and the solid phase were not considered.…”

Section: Introductionmentioning

confidence: 99%

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Modeling of Oxidative Coupling of Methane for Manufacture of Olefins—Part I: CFD Simulations

Fontoura,

De Jesus,

Pinto

2023

Processes

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This paper presents a comprehensive computational fluid dynamics (CFD) model for describing the oxidative coupling of methane (OCM) carried out in fixed-bed reactors for olefin production. Initially, a single pellet model was developed and implemented to describe the heat and mass transfer within the pellet and between the gaseous and solid phases. Subsequently, sensitivity analyses were performed to assess the impact of pellet arrangement and feed conditions on the heat and mass transfer rates, subsequently affecting concentration and temperature profiles. As indicated by the simulations, a high ethylene content could be obtained with the increase in the CH4/O2 ratio, aligning well with previous experimental studies. Furthermore, it was observed that pellet arrangement can significantly affect the reactor performance. Additionally, the behavior of temperature and concentration in the gaseous and solid phases can be very different, such that pseudo-homogeneous modeling approaches should not be assumed a priori. Finally, the simulated temperature differences between the gaseous and solid phases were very substantial and above 100 °C, indicating the occurrence of catalyst auto-ignition behavior.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Modeling of Oxidative Coupling of Methane for Manufacture of Olefins—Part I: CFD Simulations

Fontoura,

De Jesus,

Pinto

2023

Processes

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“…Anthony G. Dixon carried out a CFD numerical simulation of the heat transmission process of the bed under the influence of high Reynolds number [11]. Ramin Maghrebia simulated the dynamic process of oxidation reaction of methane that takes place inside a spherical catalyst bed [12]. Xiaoming Zhou established a spherical particle model by the CFD method to simulate the influence of flow-rate and size of particles on temperature distribution of particle surface in an acetone hydrogenation process [13].…”

Section: Introductionmentioning

confidence: 99%

Study on the Influence of Parameter Fluctuation on Ethylene Epoxidation Reaction Process

2019

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Ethylene epoxidation reactor is a kind of critical equipment in an oxidation unit. Due to the complex coupling effect of the extreme operating environment of high temperature, high pressure and potential risk factors, the reactor tends to work abnormally under the impact of parameter fluctuation, and temperature runaway incident may occur and cause severe loss. For studying the influence of parameter fluctuation on ethylene epoxidation reaction process and preventing temperature runaway accidents, physical modeling is performed firstly in this paper to acquire the chemical reaction mechanism therein and confirm the operation parameters which should be focused. The unsteady simulation of the operation process under normal situation has been performed. On such basis, a test of single-factor effect is performed to analyze the impact of parameter fluctuation on the temperature balance and operation efficiency of the reactor. Comparison analysis has been carried out between the simulation data acquired according to the established model and real production data, and it was found that the result is consistent. The analysis result indicates: higher ethene concentration, oxygen concentration, feed flux, feed temperature, drum temperature, operating pressure or smaller porosity may improve bed temperature and accelerate reaction rate; therein, ethene concentration, oxygen concentration, drum temperature, and porosity are operation parameters that need special monitoring. Based on the risk analysis of the ethylene epoxidation reactor and the simulation of the impact of parameter fluctuation, this paper studies the cause of the reactor's temperature runaway to provide a technical basis for the forecast of reactor's temperature runaway, early warning, and high-efficient operation of equipment. Model established based on abnormal condition parameters fluctuation, can contribute to early warning reactor temperature runaway, revealing the influence mechanism of parameter fluctuation for the reaction system, monitoring reaction process, eliminating temperature runaway in the bud, and providing theoretical and technical basis for petrochemical equipment fault diagnosis, accident prevention and control and safely long-time running. INDEX TERMS Fixed bed reactor, ethylene oxide, temperature runaway, CFD, parameter sensitivity.

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“…With the advancement of computer hardware and numerical methods, Computational Fluid Dynamics (CFD) modeling is now able to predict fairly accurate gas-solid flow behaviors and chemical reactions. Therefore, it has been accepted as a reliable technique to make up for the disadvantages of experimental methods (e.g., instantaneous gas-solid hydrodynamics and reaction dynamics), and further give some forward guidance for deeper experimental studies [42][43][44][45][46][47]. Previous publications on the simulation studies of CLC mainly focused on CLC of gaseous fuels [48][49][50][51][52][53] and few were on the CLC performance of solid fuels.…”

Section: Introductionmentioning

confidence: 99%

Prediction of In-Situ Gasification Chemical Looping Combustion Effects of Operating Conditions

et al. 2018

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Chemical Looping Combustion (CLC) has been considered as one of the most promising technologies to implement CO2 capture with low energy penalty. A comprehensive three-dimensional numerical model integrating gas–solid flow and reactions, based on the authors’ previous work (Energy Fuels 2013, 27, 2173–2184), is applied to simulate the in-situ Gasification Chemical Looping Combustion (iG-CLC) process in a circulating fluidized bed (CFB) riser fuel reactor. Extending from the previous work, the present study further validates the model and investigates the effects of several important operating conditions, i.e., solids flux, steam flow and operating pressure, on the gas–solid flow behaviors, CO2 concentration and fuel conversion, comprehensively. The simulated fuel reactor has a height of 5 m and an internal diameter of 60 mm. The simulated oxygen carrier is a Norwegian ilmenite and the simulated fuel is a Colombian bituminous coal. The results of this simulation work have shown that an increase in the solids flux can promote CO2 concentration, but may also have a negative effect on carbon conversion. A decrease in the steam flow leads to positive effects on not only the CO2 concentration but also the carbon conversion. However, the reduction of steam flow is limited by the CFB operation process. An increase in the operating pressure can improve both the CO2 concentration and carbon conversion and therefore, the CFB riser fuel reactor of a practical iG-CLC system is recommended to be designed and operated under a certain pressurized conditions.

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CFD modeling of catalyst pellet for oxidative coupling of methane: Heat transfer and reaction

Cited by 5 publications

References 21 publications

Modeling of Oxidative Coupling of Methane for Manufacture of Olefins—Part I: CFD Simulations

Modeling of Oxidative Coupling of Methane for Manufacture of Olefins—Part I: CFD Simulations

Study on the Influence of Parameter Fluctuation on Ethylene Epoxidation Reaction Process

Prediction of In-Situ Gasification Chemical Looping Combustion Effects of Operating Conditions

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