CFD modeling of reaction and mass transfer through a single pellet: Catalytic oxidative coupling of methane

Seyednejadian, Siavash; Yaghobi, Nakisa; Maghrebi, Ramin; Vafajoo, Leila

doi:10.1016/s1003-9953(10)60206-x

Cited by 5 publications

(4 citation statements)

References 18 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%

“…Regarding the OCM reactor, very few studies are currently available. Seyednejadian et al [21] used a CFD code to investigate the behavior of a single catalyst pellet used to promote the oxidative coupling of methane over titanite pervoskite. The reaction term was implemented on an external subroutine (UDF) and coupled to the CFD code.…”

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%

See 2 more Smart Citations

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%

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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“…For plasma chemical reactions, free radicals are believed to be much more important than any other reactive particles such as electrons, ions, photons, etc. A number of experimental and theoretical studies of non-catalytic or catalytic reactors for the OCM process have been reported [16][17][18][19].…”

Section: Introductionmentioning

confidence: 99%

Theoretical Investigations of Methane Conversion to Heavier Hydrocarbons in a Plasma Reactor

Kazemeini

Zare

Safabakhsh

et al. 2012

AMR

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In this study, mathematical modelling of oxidative coupling of methane (OCM) to C2hydrocarbons (C2H6and C2H4) over La2O3/CaO catalyst in a fixed-bed reactor operated under isothermal and non-isothermal conditions was investigated using the MATLAB program. In this process, methane and acetylene were the inputted feed and ethane, ethylene, propylene, propane, i-butane and n-butane were the output products. The amount of methane conversion obtained was 12.7% for the former feed however; if pure methane was inputted this conversion rose to 13.8%. Furthermore, the plasma process would enhance the conversion, selectivity towards desired product and process yield. A comparison between the thermal and the plasma process showed that the methane conversion and production yield in the plasma were higher than in the thermal process under the same operating conditions. Finally, the results of the catalytic OCM and methane conversion processes in the plasma phase were compared with one another.

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Modeling of a square channel monolith reactor for methane steam reforming

Inbamrung

Sornchamni

Prapainainar

et al. 2018

Energy

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CFD modeling of reaction and mass transfer through a single pellet: Catalytic oxidative coupling of methane

Cited by 5 publications

References 18 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

Theoretical Investigations of Methane Conversion to Heavier Hydrocarbons in a Plasma Reactor

Modeling of a square channel monolith reactor for methane steam reforming

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