LAPSE:2024.0048
Published Article
LAPSE:2024.0048
Modeling of Oxidative Coupling of Methane for Manufacture of Olefins—Part I: CFD Simulations
Tahyná B. Fontoura, Normando J. C. De Jesus, José Carlos Pinto
January 5, 2024
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.
Keywords
Computational Fluid Dynamics, fixed-bed reactors, heat and mass transfer, Olefins, oxidative coupling of methane
Suggested Citation
Fontoura TB, De Jesus NJC, Pinto JC. Modeling of Oxidative Coupling of Methane for Manufacture of Olefins—Part I: CFD Simulations. (2024). LAPSE:2024.0048
Author Affiliations
Fontoura TB: Programa de Engenharia Química/COPPE, Universidade Federal do Rio de Janeiro, Rio de Janeiro 21941-972, RJ, Brazil [ORCID]
De Jesus NJC: Braskem S.A., Rua Marumbi, 1001, Campos Elíseos, Duque de Caxias 25221-000, RJ, Brazil
Pinto JC: Programa de Engenharia Química/COPPE, Universidade Federal do Rio de Janeiro, Rio de Janeiro 21941-972, RJ, Brazil [ORCID]
Journal Name
Processes
Volume
11
Issue
8
First Page
2505
Year
2023
Publication Date
2023-08-20
Published Version
ISSN
2227-9717
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Original Submission
Other Meta
PII: pr11082505, Publication Type: Journal Article
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LAPSE:2024.0048
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doi:10.3390/pr11082505
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Jan 5, 2024
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CC BY 4.0
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Jan 5, 2024
 
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Original Submitter
Calvin Tsay
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