{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,8]],"date-time":"2026-04-08T02:49:41Z","timestamp":1775616581483,"version":"3.50.1"},"reference-count":45,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T00:00:00Z","timestamp":1782864000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T00:00:00Z","timestamp":1782864000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2026,3,16]],"date-time":"2026-03-16T00:00:00Z","timestamp":1773619200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100000348","name":"Calouste Gulbenkian Foundation","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100000348","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100022843","name":"University of Porto Faculty of Engineering","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100022843","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Computers &amp; Chemical Engineering"],"published-print":{"date-parts":[[2026,7]]},"DOI":"10.1016\/j.compchemeng.2026.109639","type":"journal-article","created":{"date-parts":[[2026,3,17]],"date-time":"2026-03-17T16:33:47Z","timestamp":1773765227000},"page":"109639","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":0,"special_numbering":"C","title":["Energetic and kinetic analysis of ammonia decomposition for hydrogen production in packed bed reactors"],"prefix":"10.1016","volume":"210","author":[{"ORCID":"https:\/\/orcid.org\/0009-0005-0321-4295","authenticated-orcid":false,"given":"Jos\u00e9","family":"Matos","sequence":"first","affiliation":[]},{"given":"Cl\u00e1udio","family":"Rocha","sequence":"additional","affiliation":[]},{"given":"M.A.","family":"Soria","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1893-5467","authenticated-orcid":false,"given":"Lu\u00eds M.","family":"Madeira","sequence":"additional","affiliation":[]}],"member":"78","reference":[{"key":"10.1016\/j.compchemeng.2026.109639_bib0019","doi-asserted-by":"crossref","first-page":"829","DOI":"10.1016\/j.jpowsour.2009.08.024","article-title":"Analysis of ammonia decomposition reactor to generate hydrogen for fuel cell applications","volume":"195","author":"Alagharu","year":"2010","journal-title":"J. Power Sources"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0034","doi-asserted-by":"crossref","first-page":"47","DOI":"10.1002\/fld.428","article-title":"A convergent and universally bounded interpolation scheme for the treatment of advection","volume":"41","author":"Alves","year":"2003","journal-title":"Int. J. Numer. Methods Fluids"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0016","doi-asserted-by":"crossref","first-page":"921","DOI":"10.3390\/en16020921","article-title":"A review on numerical simulation of hydrogen production from ammonia decomposition","volume":"16","author":"Ao","year":"2023","journal-title":"Energies"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0017","doi-asserted-by":"crossref","first-page":"5360","DOI":"10.1002\/er.5286","article-title":"Optimal design and operation of ammonia decomposition reactors","volume":"44","author":"Badescu","year":"2020","journal-title":"Int. J. Energy Res."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0026","unstructured":"Bradley Russell, Ammonia cracking process and apparatus for improved hydrogen recovery, US20230174375A1, 2022."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0008","doi-asserted-by":"crossref","first-page":"32","DOI":"10.1595\/205651318X696341","article-title":"Ammonia and the fertiliser industry: the development of ammonia at billingham","volume":"62","author":"Brightling","year":"2018","journal-title":"Johns. Matthey Technol. Rev."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0029","doi-asserted-by":"crossref","DOI":"10.1016\/j.fuproc.2021.106772","article-title":"H2 Production via ammonia decomposition in a catalytic membrane reactor","volume":"216","author":"Cechetto","year":"2021","journal-title":"Fuel Process. Technol."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0020","doi-asserted-by":"crossref","first-page":"589","DOI":"10.1016\/j.ijhydene.2009.10.098","article-title":"Numerical modeling of hydrogen production from ammonia decomposition for fuel cell applications","volume":"35","author":"Chein","year":"2010","journal-title":"Int. J. Hydrog. Energy"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0007","doi-asserted-by":"crossref","first-page":"328","DOI":"10.1016\/j.cherd.2025.07.044","article-title":"Hydrogen production via ammonia decomposition: kinetic analysis","volume":"221","author":"Coelho","year":"2025","journal-title":"Chem. Eng. Res. Des."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0032","series-title":"PhD Thesis","article-title":"Catalytic Decomposition of Ammonia in a Membrane Reactor","author":"Collins","year":"1993"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0010","doi-asserted-by":"crossref","DOI":"10.1016\/j.apenergy.2020.115868","article-title":"The Impedance of hydrogen oxidation reaction in a proton exchange membrane fuel cell in the presence of carbon monoxide in hydrogen stream","volume":"279","author":"Darowicki","year":"2020","journal-title":"Appl. Energy"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0024","doi-asserted-by":"crossref","first-page":"808","DOI":"10.1016\/j.ijhydene.2013.10.110","article-title":"Ammonia Decomposition over commercial Ru\/Al2O3 Catalyst: an experimental evaluation at different operative pressures and temperatures","volume":"39","author":"Di Carlo","year":"2014","journal-title":"Int. J. Hydrog. Energy"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0033","doi-asserted-by":"crossref","first-page":"4321","DOI":"10.1016\/S0009-2509(00)00533-9","article-title":"The influence of confining walls on the pressure drop in packed beds","volume":"56","author":"Eisfeld","year":"2001","journal-title":"Chem. Eng. Sci."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0030","series-title":"Chemical Reactor Analysis and Design","author":"Froment","year":"1990"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0035","doi-asserted-by":"crossref","first-page":"117","DOI":"10.1023\/B:CATL.0000030108.50691.d4","article-title":"A priori catalytic activity correlations: the difficult case of hydrogen production from ammonia","volume":"96","author":"Ganley","year":"2004","journal-title":"Catal. Lett."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0043","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1016\/j.ece.2017.08.003","article-title":"A heterogeneous chemical reactor analysis and design laboratory: the kinetics of ammonia decomposition","volume":"21","author":"Ganley","year":"2017","journal-title":"Educ. Chem. Eng."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0011","doi-asserted-by":"crossref","first-page":"343","DOI":"10.1016\/j.jpowsour.2005.10.011","article-title":"Effect of ammonia on the performance of polymer electrolyte membrane fuel cells","volume":"154","author":"Halseid","year":"2006","journal-title":"J. Power Sources"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0039","doi-asserted-by":"crossref","DOI":"10.1039\/D4IM00112E","article-title":"Catalyst design for ammonia decomposition: an overview","author":"Han","year":"2025","journal-title":"Ind. Chem. Mater."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0006","doi-asserted-by":"crossref","DOI":"10.1016\/j.energy.2024.130636","article-title":"Optimal configurations of ammonia decomposition reactor with minimum power consumption and minimum heat transfer rate","volume":"293","author":"Huang","year":"2024","journal-title":"Energy"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0041","doi-asserted-by":"crossref","DOI":"10.1016\/j.rser.2023.113784","article-title":"Economical assessment comparison for hydrogen reconversion from ammonia using thermal decomposition and electrolysis","volume":"188","author":"Kanaan","year":"2023","journal-title":"Renew. Sustain. Energy Rev."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0003","doi-asserted-by":"crossref","first-page":"3580","DOI":"10.1016\/j.ijhydene.2018.12.024","article-title":"Ammonia for hydrogen storage; a review of catalytic ammonia decomposition and hydrogen separation and purification","volume":"44","author":"Lamb","year":"2019","journal-title":"Int. J. Hydrog. Energy"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0009","series-title":"Lees\u2019 Loss Prevention in the Process Industries","author":"Lees","year":"2005"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0027","doi-asserted-by":"crossref","first-page":"3006","DOI":"10.1039\/C9SE01111K","article-title":"Techno-economic analysis and comprehensive optimization of an On-site hydrogen refuelling station system using ammonia: hybrid hydrogen purification with both high h2 purity and high recovery","volume":"4","author":"Lin","year":"2020","journal-title":"Sustain. Energy Fuels"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0018","doi-asserted-by":"crossref","first-page":"965","DOI":"10.1002\/(SICI)1099-114X(199611)20:11<965::AID-ER208>3.0.CO;2-G","article-title":"High pressure ammonia dissociation experiments for solar energy transport and storage","volume":"20","author":"Lovegrove","year":"1996","journal-title":"Int. J. Energy Res."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0037","doi-asserted-by":"crossref","DOI":"10.59717\/j.xinn-energy.2024.100056","article-title":"Advancements in thermocatalytic ammonia decomposition for hydrogen production","volume":"1","author":"Lu","year":"2024","journal-title":"Innov. Energy"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0036","doi-asserted-by":"crossref","first-page":"18560","DOI":"10.1021\/acs.iecr.1c00843","article-title":"Review of the decomposition of ammonia to generate hydrogen","volume":"60","author":"Lucentini","year":"2021","journal-title":"Ind. Eng. Chem. Res."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0038","doi-asserted-by":"crossref","DOI":"10.1016\/j.memsci.2023.122345","article-title":"Modeling of an ammonia decomposition membrane reactor including purity with complex geometry and non-isothermal behavior","volume":"693","author":"Lundin","year":"2024","journal-title":"J. Memb. Sci."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0045","doi-asserted-by":"crossref","first-page":"41421","DOI":"10.1016\/j.ijhydene.2022.04.281","article-title":"A compact and high-efficiency electrified reactor for hydrogen production by methane steam reforming","volume":"47","author":"Ma","year":"2022","journal-title":"Int. J. Hydrog. Energy"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0012","doi-asserted-by":"crossref","first-page":"3805","DOI":"10.1039\/C5SC00205B","article-title":"Ammonia decomposition catalysis using non-stoichiometric lithium imide","volume":"6","author":"Makepeace","year":"2015","journal-title":"Chem. Sci."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0004","doi-asserted-by":"crossref","first-page":"34","DOI":"10.1016\/j.pnsc.2016.12.014","article-title":"Hydrogen - A sustainable energy carrier","volume":"27","author":"M\u00f8ller","year":"2017","journal-title":"Prog. Nat. Sci.: Mater. Int."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0002","doi-asserted-by":"crossref","DOI":"10.3390\/ijms241814397","article-title":"Green hydrogen production through ammonia decomposition using non-thermal plasma","volume":"24","author":"Moszczy\u0144ska","year":"2023","journal-title":"Int. J. Mol. Sci."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0015","doi-asserted-by":"crossref","first-page":"57","DOI":"10.1007\/s11696-020-01278-z","article-title":"Ammonia decomposition for hydrogen production: a thermodynamic study","volume":"75","author":"Ojelade","year":"2021","journal-title":"Chem. Pap."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0044","first-page":"87","article-title":"Advanced fabrication methods and techniques, in: nanofluidics and microfluidics","author":"Prakash","year":"2014","journal-title":"Elsevier"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0040","doi-asserted-by":"crossref","first-page":"5255","DOI":"10.1021\/ie900144x","article-title":"Assessment of overall rate expressions and multiscale, microkinetic model uniqueness via experimental data injection: ammonia decomposition on Ru\/\u03b3-Al2O3 for hydrogen production","volume":"48","author":"Prasad","year":"2009","journal-title":"Ind. Eng. Chem. Res."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0014","doi-asserted-by":"crossref","first-page":"1413","DOI":"10.1002\/cite.202200003","article-title":"Ammonia decomposition in the process chain for a renewable hydrogen supply","volume":"94","author":"Ristig","year":"2022","journal-title":"Chem. Ing. Tech."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0031","article-title":"Scientific Basis for the Design of Two Phase Catalytic Reactors","author":"Rodrigues","year":"1981","journal-title":"Multiphase Chemical Reactors, Volume II \u2013 Design Methods, Sijthoff Noordhoff"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0042","series-title":"MSc Thesis","article-title":"Advanced modelling of PSA Processes for Biogas Upgrading","author":"Santos","year":"2011"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0025","doi-asserted-by":"crossref","first-page":"5027","DOI":"10.1039\/D0CY00686F","article-title":"High pressure ammonia decomposition on Ru\u2013K\/CaO catalysts","volume":"10","author":"Sayas","year":"2020","journal-title":"Catal. Sci. Technol."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0021","doi-asserted-by":"crossref","DOI":"10.1016\/j.ijhydene.2025.152009","article-title":"Numerical investigation of ammonia catalytic decomposition in a fixed-bed reactor","volume":"185","author":"Shan","year":"2025","journal-title":"Int. J. Hydrog. Energy"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0023","doi-asserted-by":"crossref","first-page":"333","DOI":"10.1016\/j.cherd.2020.11.004","article-title":"Kinetic-Model-based design of industrial reactor for catalytic hydrogen production via ammonia decomposition","volume":"165","author":"Takahashi","year":"2021","journal-title":"Chem. Eng. Res. Des."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0013","doi-asserted-by":"crossref","first-page":"A293","DOI":"10.1149\/1.1447221","article-title":"Effect of ammonia as potential fuel impurity on proton exchange membrane fuel cell performance","volume":"149","author":"Uribe","year":"2002","journal-title":"J. Electrochem. Soc."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0005","doi-asserted-by":"crossref","DOI":"10.1016\/j.renene.2024.120302","article-title":"Numerical analysis on ammonia decomposition for hydrogen production in a membrane reactor assisted by a parabolic trough solar collector","volume":"225","author":"Yu","year":"2024","journal-title":"Renew. Energy"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0001","doi-asserted-by":"crossref","first-page":"5196","DOI":"10.3390\/en16135196","article-title":"Numerical studies on hydrogen production from ammonia thermal cracking with catalysts","volume":"16","author":"Yuan","year":"2023","journal-title":"Energies"},{"key":"10.1016\/j.compchemeng.2026.109639_bib0022","article-title":"Multiscale Modeling of a low-temperature NH3 decomposition reactor for precious metal reduction and temperature control","volume":"71","author":"Zhang","year":"2025","journal-title":"AIChE J."},{"key":"10.1016\/j.compchemeng.2026.109639_bib0028","doi-asserted-by":"crossref","first-page":"22704","DOI":"10.1016\/j.ijhydene.2022.05.109","article-title":"Comparison between 1D and 2D numerical models of a multi-tubular packed-bed reactor for methanol steam reforming","volume":"47","author":"Zhu","year":"2022","journal-title":"Int. J. Hydrog. Energy"}],"container-title":["Computers &amp; Chemical Engineering"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S009813542600092X?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S009813542600092X?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,4,8]],"date-time":"2026-04-08T02:05:51Z","timestamp":1775613951000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S009813542600092X"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,7]]},"references-count":45,"alternative-id":["S009813542600092X"],"URL":"https:\/\/doi.org\/10.1016\/j.compchemeng.2026.109639","relation":{},"ISSN":["0098-1354"],"issn-type":[{"value":"0098-1354","type":"print"}],"subject":[],"published":{"date-parts":[[2026,7]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Energetic and kinetic analysis of ammonia decomposition for hydrogen production in packed bed reactors","name":"articletitle","label":"Article Title"},{"value":"Computers & Chemical Engineering","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.compchemeng.2026.109639","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2026 The Author(s). Published by Elsevier Ltd.","name":"copyright","label":"Copyright"}],"article-number":"109639"}}