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Title: Computational Studies on Microreactors for the Decomposition of Formic Acid for Hydrogen Production Using Heterogeneous Catalysts
Authors: Harkou, Eleana 
Adamou, Panayiota 
Georgiou, Kyproula 
Hafeez, Sanaa 
Al-Salem, Sultan M. 
Villa, Alberto 
Manos, George 
Dimitratos, Nikolaos 
Constantinou, Achilleas 
Major Field of Science: Engineering and Technology
Field Category: ENGINEERING AND TECHNOLOGY;Chemical Engineering
Keywords: carbon monoxide;dehydrogenation;formic acid;hydrogen;membrane;microreactor
Issue Date: 14-Jul-2023
Source: Molecules, 2023, vol 28, iss. 14
Volume: 28
Issue: 14
Journal: Molecules 
Abstract: Sustainable alternatives to conventional fuels have emerged recently, focusing on a hydrogen-based economy. The idea of using hydrogen (H2) as an energy carrier is very promising due to its zero-emission properties. The present study investigates the formic acid (FA) decomposition for H2 generation using a commercial 5 wt.% Pd/C catalyst. Three different 2D microreactor configurations (packed bed, single membrane, and double membrane) were studied using computational fluid dynamics (CFD). Parameters such as temperature, porosity, concentration, and flow rate of reactant were investigated. The packed bed configuration resulted in high conversions, but due to catalyst poisoning by carbon monoxide (CO), the catalytic activity decreased with time. For the single and double membrane microreactors, the same trends were observed, but the double membrane microreactor showed superior performance compared with the other configurations. Conversions higher than 80% were achieved, and even though deactivation decreased the conversion after 1 h of reaction, the selective removal of CO from the system with the use of membranes lead to an increase in the conversion afterwards. These results prove that the incorporation of membranes in the system for the separation of CO is improving the efficiency of the microreactor.
ISSN: 14203049
DOI: 10.3390/molecules28145399
Rights: © by the authors
Attribution-NonCommercial-NoDerivatives 4.0 International
Type: Article
Affiliation : Cyprus University of Technology 
Queen Mary University of London 
Kuwait Institute for Scientific Research 
Università degli Studi di Milano 
University College London 
Alma Mater Studiorum Universita di Bologna 
Università di Bologna 
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