{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,15]],"date-time":"2026-05-15T13:13:15Z","timestamp":1778850795717,"version":"3.51.4"},"reference-count":43,"publisher":"Wiley","issue":"5","license":[{"start":{"date-parts":[[2026,4,27]],"date-time":"2026-04-27T00:00:00Z","timestamp":1777248000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2026,4,27]],"date-time":"2026-04-27T00:00:00Z","timestamp":1777248000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"funder":[{"DOI":"10.13039\/501100001807","name":"FAPESP","doi-asserted-by":"publisher","award":["18\/01258\u20105"],"award-info":[{"award-number":["18\/01258\u20105"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002322","name":"CAPES Foundation","doi-asserted-by":"publisher","award":["Finance Code 001"],"award-info":[{"award-number":["Finance Code 001"]}],"id":[{"id":"10.13039\/501100002322","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemistryOpen"],"published-print":{"date-parts":[[2026,5]]},"abstract":"<jats:p>\n                    The direct conversion of methane to methanol is a promising alternative for natural gas valorization but remains limited by thermodynamic and kinetic constraints. This study presents a computational thermodynamic analysis of the partial oxidation of methane to methanol performed using Aspen Plus software, comparing O\n                    <jats:sub>2<\/jats:sub>\n                    and CO\n                    <jats:sub>2<\/jats:sub>\n                    as oxidants. The analysis assesses the effects of temperature (25\u2013600\u00b0C), pressure (1, 15, and 30\u2009bar), and oxidant type on key performance metrics, including methane conversion, methanol yield, and methanol selectivity. Results indicate that the optimal operating conditions lie between 300\u00b0C and 450\u00b0C and at 15\u2009bar, where a balance between conversion and selectivity is achieved. While O\n                    <jats:sub>2<\/jats:sub>\n                    enables higher conversion and methanol yield compared to CO\n                    <jats:sub>2<\/jats:sub>\n                    , it also increases the risk of total oxidation and safety issues. CO\n                    <jats:sub>2<\/jats:sub>\n                    , although thermodynamically less favorable, offers environmental benefits and greater process control. Coupled reactions involving H\n                    <jats:sub>2<\/jats:sub>\n                    O\n                    <jats:sub>2<\/jats:sub>\n                    as an additional oxidant were evaluated as a strategy to overcome the thermodynamic limitations of CO\n                    <jats:sub>2<\/jats:sub>\n                    , showing potential to enhance conversion and methanol selectivity under controlled conditions. Overall, these findings define the optimal thermodynamic boundaries for methane\u2010to\u2010methanol conversion and underscore the critical need for tailored catalyst design to overcome kinetic barriers, providing clear guidance for future process integration.\n                  <\/jats:p>","DOI":"10.1002\/open.202500550","type":"journal-article","created":{"date-parts":[[2026,4,28]],"date-time":"2026-04-28T04:56:35Z","timestamp":1777352195000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Thermodynamic Insights Into Direct Methane to Methanol Conversion Using O\n                    <sub>2<\/sub>\n                    and CO\n                    <sub>2<\/sub>\n                    Oxidants"],"prefix":"10.1002","volume":"15","author":[{"given":"Victor I. O.","family":"Sumikawa","sequence":"first","affiliation":[{"name":"Chemical Engineering Department Federal University of S\u00e3o Carlos (UFSCar)  S\u00e3o Carlos Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jos\u00e9 M. 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