{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,28]],"date-time":"2026-10-28T03:50:28Z","timestamp":1793159428470,"version":"4.5.0"},"reference-count":49,"publisher":"Wiley","issue":"10","license":[{"start":{"date-parts":[[2024,9,20]],"date-time":"2024-09-20T00:00:00Z","timestamp":1726790400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Global Challenges"],"published-print":{"date-parts":[[2024,10]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    This study presents a single\u2010site microkinetic model for methanol synthesis by CO\n                    <jats:sub>2<\/jats:sub>\n                    hydrogenation over intermetallic Pd\n                    <jats:sub>2<\/jats:sub>\n                    Ga\/SiO\n                    <jats:sub>2<\/jats:sub>\n                    . A reaction path analysis (RPA) combining theoretical results and realistic catalyst surface reaction data is established to elucidate the reaction mechanism and kinetic models of CO\n                    <jats:sub>2<\/jats:sub>\n                    hydrogenation to methanol and CO. The RPA leads to the derivation of rate expressions for both reactions without presumptions about the most abundant reactive intermediate (MARI) and rate\u2010determining step (rds). The formation of H\n                    <jats:sub>2<\/jats:sub>\n                    COOH* is found to be the rds (step 19) for methanol synthesis via the formate pathway, with CO\n                    <jats:sub>2<\/jats:sub>\n                    and H\u2010atoms adsorbed on intermetallic sites as the MARIs. The derived kinetic model is corroborated with experimental data acquired under different reaction conditions,\u00a0using a lab\u2010scale fixed\u2010bed reactor and Pd\n                    <jats:sub>2<\/jats:sub>\n                    Ga\/SiO\n                    <jats:sub>2<\/jats:sub>\n                    nanoparticles prepared by incipient wetness impregnation. The excellent agreement between the experimental data and the kinetic model (\n                    <jats:italic>R<\/jats:italic>\n                    <jats:sup>2<\/jats:sup>\n                    = 0.99) substantiates the proposed mechanism with an activation energy of 61.52 kJ mol\n                    <jats:sup>\u20101<\/jats:sup>\n                    for methanol synthesis. The reported catalyst exhibits high selectivity to methanol (96%) at 1\u00a0bar, 150 \u00b0C, and H\n                    <jats:sub>2<\/jats:sub>\n                    \/CO\n                    <jats:sub>2<\/jats:sub>\n                    ratio of 3:1. These findings provide critical insights to optimize catalysts and processes targeting CO\n                    <jats:sub>2<\/jats:sub>\n                    hydrogenation at atmospheric pressure and low temperatures for on\u2010demand energy production.\n                  <\/jats:p>","DOI":"10.1002\/gch2.202400159","type":"journal-article","created":{"date-parts":[[2024,9,20]],"date-time":"2024-09-20T07:30:51Z","timestamp":1726817451000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Kinetic Insights into Methanol Synthesis from CO\n                    <sub>2<\/sub>\n                    Hydrogenation at Atmospheric Pressure over Intermetallic Pd\n                    <sub>2<\/sub>\n                    Ga Catalyst"],"prefix":"10.1002","volume":"8","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-7228-2981","authenticated-orcid":false,"given":"Kaisar","family":"Ahmad","sequence":"first","affiliation":[{"name":"Center for Catalysis and Separation Department of Chemistry Khalifa University of Science and Technology  PO Box 127788 Abu Dhabi UAE"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9189-3689","authenticated-orcid":false,"given":"Aasif Asharafbhai","family":"Dabbawala","sequence":"additional","affiliation":[{"name":"Center for Catalysis and Separation Department of Mechanical and Nuclear Engineering Khalifa University of Science and Technology  PO Box 127788 Abu Dhabi UAE"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0723-9941","authenticated-orcid":false,"given":"Kyriaki","family":"Polychronopoulou","sequence":"additional","affiliation":[{"name":"Center for Catalysis and Separation Department of Mechanical and Nuclear Engineering Khalifa University of Science and Technology  PO Box 127788 Abu Dhabi UAE"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2336-2859","authenticated-orcid":false,"given":"Dalaver","family":"Anjum","sequence":"additional","affiliation":[{"name":"Center for Catalysis and Separation Department of Physics Khalifa University of Science and Technology  PO Box 127788 Abu Dhabi UAE"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5145-051X","authenticated-orcid":false,"given":"Marko","family":"Gacesa","sequence":"additional","affiliation":[{"name":"Center for Catalysis and Separation Department of Physics Khalifa University of Science and Technology  PO Box 127788 Abu Dhabi UAE"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3988-1610","authenticated-orcid":false,"given":"Maguy","family":"Abi Jaoude","sequence":"additional","affiliation":[{"name":"Center for Catalysis and Separation Department of Chemistry Khalifa University of Science and Technology  PO Box 127788 Abu Dhabi UAE"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2024,9,20]]},"reference":[{"key":"e_1_2_8_1_1","unstructured":"R.Marin AFRY Power\u2010to\u2010X integration the methanol case https:\/\/ptqmagazines.digitalrefining.com\/view\/200571133 2022 p.62(accessed: November 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