Kinetic Modeling and CFD Simulation of In Situ Heavy Oil Upgrading Using Batch Reactors and Porous Media 

Kinetic Modeling and CFD Simulation of In Situ Heavy Oil Upgrading Using Batch Reactors and Porous Media | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Article Kinetic Modeling and CFD Simulation of In Situ Heavy Oil Upgrading Using Batch Reactors and Porous Media Arman Aryanzadeh, Arezou Jafari, Mahdi Abdi-Khanghah This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-6052635/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 21 Apr, 2025 Read the published version in Scientific Reports → Version 1 posted 8 You are reading this latest preprint version Abstract The depletion of conventional oil reserves and rising global energy demand necessitate efficient extraction methods for unconventional resources like heavy oil. This study successfully applies the coupling of chemical reaction kinetics with fluid dynamics in porous media for in-situ heavy oil upgrading, extending existing models to dynamic conditions. Using advanced kinetic modeling and Computational Fluid Dynamics (CFD), catalytic reactions are analyzed employing a Ni-W-Mo catalyst. The primary aim of this study is to investigate the effects of temperature, oil composition, and residence time on the upgrading process and the resulting product distribution. Simulations were first performed in a non-porous batch reactor to identify optimal reaction conditions, followed by modeling reactive flow in porous media to better simulate real-world reservoir conditions. The results show that temperature and residence time significantly influence conversion rates and product yields, with a 30% increase in lighter hydrocarbon production as the reaction temperature is raised from 575 K to 700 K. These findings emphasize the importance of dynamic modeling in optimizing in-situ upgrading processes and provide insights into improving unconventional oil recovery techniques. This research provides a comprehensive framework to enhance the understanding of complex chemical and hydrodynamic interactions in porous media, contributing to the development of more effective oil recovery strategies for unconventional resources. Physical sciences/Engineering/Chemical engineering Physical sciences/Energy science and technology/Fossil fuels/Crude oil In-situ upgrading Heavy Oil Enhanced Oil Recovery (EOR) Porous Media Reaction Kinetic Catalysts Full Text Additional Declarations No competing interests reported. Cite Share Download PDF Status: Published Journal Publication published 21 Apr, 2025 Read the published version in Scientific Reports → Version 1 posted Editorial decision: Accepted 11 Apr, 2025 Reviews received at journal 11 Apr, 2025 Reviewers agreed at journal 10 Apr, 2025 Reviews received at journal 09 Apr, 2025 Reviewers agreed at journal 08 Apr, 2025 Reviewers invited by journal 08 Apr, 2025 Submission checks completed at journal 07 Apr, 2025 First submitted to journal 26 Mar, 2025 You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. As a division of Research Square Company, we’re committed to making research communication faster, fairer, and more useful. We do this by developing innovative software and high quality services for the global research community. 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Also discoverable on Platform About Our Team In Review Editorial Policies Advisory Board Help Center Resources Author Services Accessibility API Access RSS feed Manage Cookie Preferences © Research Square 2026 | ISSN 2693-5015 (online) Privacy Policy Terms of Service Do Not Sell My Personal Information {"props":{"pageProps":{"initialData":{"identity":"rs-6052635","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":440452133,"identity":"d973e883-eb4a-4fce-a9f9-f6f26dee63f5","order_by":0,"name":"Arman Aryanzadeh","email":"data:image/png;base64,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","orcid":"","institution":"Tarbiat Modarres University","correspondingAuthor":true,"prefix":"","firstName":"Arman","middleName":"","lastName":"Aryanzadeh","suffix":""},{"id":440452134,"identity":"4c26a872-1849-46ee-8bba-0dfdd9206a85","order_by":1,"name":"Arezou Jafari","email":"","orcid":"","institution":"Tarbiat Modarres University","correspondingAuthor":false,"prefix":"","firstName":"Arezou","middleName":"","lastName":"Jafari","suffix":""},{"id":440452135,"identity":"01aa2448-40a6-4615-878b-ff2768a29710","order_by":2,"name":"Mahdi Abdi-Khanghah","email":"","orcid":"","institution":"Tarbiat Modarres University","correspondingAuthor":false,"prefix":"","firstName":"Mahdi","middleName":"","lastName":"Abdi-Khanghah","suffix":""}],"badges":[],"createdAt":"2025-02-18 05:08:19","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-6052635/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-6052635/v1","draftVersion":[],"editorialEvents":[{"content":"https://doi.org/10.1038/s41598-025-98494-y","type":"published","date":"2025-04-21T15:57:40+00:00"}],"editorialNote":"","failedWorkflow":false,"files":[{"id":81569833,"identity":"674f5022-1fc8-428f-ba76-8d3e28bc95b2","added_by":"auto","created_at":"2025-04-28 16:11:53","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":2542941,"visible":true,"origin":"","legend":"","description":"","filename":"InsituupgradingofheavyoilFinalIssue03.pdf","url":"https://assets-eu.researchsquare.com/files/rs-6052635/v1_covered_a89a57db-3b05-4b71-88da-a2b3699260fb.pdf"}],"financialInterests":"No competing interests reported.","formattedTitle":"Kinetic Modeling and CFD Simulation of In Situ Heavy Oil Upgrading Using Batch Reactors and Porous Media ","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":false,"hideJournal":false,"highlight":"","institution":"","isAcceptedByJournal":true,"isAuthorSuppliedPdf":true,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":false,"isPdf":true,"isPdfUpToDate":true,"isWithdrawnOrRetracted":false,"journal":{"display":true,"email":"[email protected]","identity":"scientific-reports","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":false,"externalIdentity":"scirep","sideBox":"Learn more about [Scientific Reports](http://www.nature.com/srep/)","snPcode":"","submissionUrl":"","title":"Scientific Reports","twitterHandle":"","acdcEnabled":true,"dfaEnabled":true,"editorialSystem":"stoa","reportingPortfolio":"Scientific Reports","inReviewEnabled":true,"inReviewRevisionsEnabled":true},"keywords":"In-situ upgrading, Heavy Oil, Enhanced Oil Recovery (EOR), Porous Media, Reaction Kinetic, Catalysts","lastPublishedDoi":"10.21203/rs.3.rs-6052635/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-6052635/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eThe depletion of conventional oil reserves and rising global energy demand necessitate efficient extraction methods for unconventional resources like heavy oil. This study successfully applies the coupling of chemical reaction kinetics with fluid dynamics in porous media for in-situ heavy oil upgrading, extending existing models to dynamic conditions. Using advanced kinetic modeling and Computational Fluid Dynamics (CFD), catalytic reactions are analyzed employing a Ni-W-Mo catalyst.\u003c/p\u003e \u003cp\u003eThe primary aim of this study is to investigate the effects of temperature, oil composition, and residence time on the upgrading process and the resulting product distribution. Simulations were first performed in a non-porous batch reactor to identify optimal reaction conditions, followed by modeling reactive flow in porous media to better simulate real-world reservoir conditions. The results show that temperature and residence time significantly influence conversion rates and product yields, with a 30% increase in lighter hydrocarbon production as the reaction temperature is raised from 575 K to 700 K. 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