Methane dehydroaromatization in a catalytic co-ionic membrane reactor: A parametric study with finite element analysis

[EN] Methane dehydroaromatization produces benzene from natural gas or biomethane in one step but faces thermodynamic and catalyst deactivation challenges due to coke formation. Co-ionic conducting membrane reactors mitigate these issues by extracting hydrogen and injecting oxide ions, boosting benz...

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Detalles Bibliográficos
Autores: Catalán-Martínez, David, Kjølseth, Christian, Santafé Moros, María Asunción|||0000-0002-0933-108X, Gozálvez-Zafrilla, José M.|||0000-0003-4419-6765, Serra Alfaro, José Manuel|||0000-0002-1515-1106
Tipo de recurso: artículo
Fecha de publicación:2025
País:España
Institución:Universitat Politècnica de València (UPV)
Repositorio:RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
Idioma:inglés
OAI Identifier:oai:dnet:riunet______::a785808e7d05a597d73cc5ffe3e699e9
Acceso en línea:https://riunet.upv.es/handle/10251/233803
Access Level:acceso abierto
Palabra clave:Methane
Electrochemical reactor
Proton conductor
Hydrogen extraction
MDA
Benzene
Modelling
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Descripción
Sumario:[EN] Methane dehydroaromatization produces benzene from natural gas or biomethane in one step but faces thermodynamic and catalyst deactivation challenges due to coke formation. Co-ionic conducting membrane reactors mitigate these issues by extracting hydrogen and injecting oxide ions, boosting benzene yield, and suppressing coke. This study develops a finite element computational model that integrates gas flow, species transport, catalytic reactions, and electrochemical effects. Using kinetic parameters fitted from experimental data, the model analyses the impact of electrochemical ion pumping, feed rate, space velocity, and geometry on benzene yield and coke suppression. Results show that hydrogen generation is mainly limited by ethylene formation kinetics. Even so, for the high catalyst loads studied (GSHV = 500 NmL/(g¿h)), methane conversion higher than 50 % and benzene selectivity of 80 % are achieved. Parametric studies identified optimal geometry and conditions that allow over 95 % hydrogen extraction, shifting conversion toward benzene formation. Additionally, the model pinpoints conditions where local steam suppresses coke without causing catalyst deactivation via oxidation or reforming reactions.