Molecular dynamics simulation of the mechanical properties of silicone sealants

Molecular dynamics simulation of the mechanical properties of silicone sealants | 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 Research Article Molecular dynamics simulation of the mechanical properties of silicone sealants Wen Qi, Yu-Fei Du, Gui-lei An This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-5750045/v1 This work is licensed under a CC BY 4.0 License Status: Posted Version 1 posted You are reading this latest preprint version Abstract Silicone sealant as a room temperature crosslinking curing silicone polymer material is widely used in curtain wall and prefabricated buildings, the study of the relationship between the crosslinking molecular structure of silicone sealant and its properties is of great significance to improve the mechanical properties of silicone sealant and to design or develop new types of silicone sealant products.Three mixed system models of crosslinking silicone sealant/plasticizer are constructed by molecular dynamics simulation method, and the effect of three influencing factors, namely, crosslinking degree of silicone sealant, plasticizer content and external temperature on the mechanical properties of silicone sealant system are analyzed.The results show that at room temperature, the mechanical properties of silicone sealant system is enhanced with the increase of its crosslinking degree; At high crosslinking degree, with the increase of plasticizer content, the mechanical properties of silicone sealant system is an overall decreasing trend.When the methyl silicone oil in the range of 20%, the mechanical properties of the silicone sealant appeared to be a small degree of enhancement;As the temperature increases, the doped white oil mechanical properties of silicone sealant declined significantly, while doped with mthyl silicone oil silicone sealant and doped with double-ended vinyl silicone oil silicone sealant mechanical properties have better heat resistance. silicone sealant，molecular dynamic simulation，microstructure，mechanical property，crosslinking Full Text Additional Declarations No competing interests reported. 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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-5750045","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":398370935,"identity":"34d15cf2-b254-4e99-aa1f-a9fcafef0d3d","order_by":0,"name":"Wen Qi","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAAA9ElEQVRIiWNgGAWjYDACZiBm/GMjxw8XOUCUloY0Y8kGorUwgLUcTjSAqySkhe84j+Hjwh2HE4zPrzHd+LONQY7vRgLj5wI8WiQP8xgbzzyTnmd241naDck2BmPJGwnM0jPwaDE4zLtNmofNutjsxuFjNwzbGBI33EhgY+bBr2X7bx425sTNMw623UhsY6gnRss2Zt4258QN/M3HbhxsY0gwIKRF8jD/Z2meM2nGEjfY0m42nJMwnHnmYbM0Pi18548lfuapAEZl/xmzmz/KbOT5jicf/IxPCyIWJBLAJAMomvBpQNLCfwC3olEwCkbBKBjZAAALiFE3nd51qQAAAABJRU5ErkJggg==","orcid":"","institution":"Guangxi University for Nationalities","correspondingAuthor":true,"prefix":"","firstName":"Wen","middleName":"","lastName":"Qi","suffix":""},{"id":398370936,"identity":"355ead1b-e558-47a3-8a1b-9d3de55f96b0","order_by":1,"name":"Yu-Fei Du","email":"","orcid":"","institution":"Guangxi University for Nationalities","correspondingAuthor":false,"prefix":"","firstName":"Yu-Fei","middleName":"","lastName":"Du","suffix":""},{"id":398370937,"identity":"02321848-b5f9-42ab-9a05-4112fdaff636","order_by":2,"name":"Gui-lei An","email":"","orcid":"","institution":"","correspondingAuthor":false,"prefix":"","firstName":"Gui-lei","middleName":"","lastName":"An","suffix":""}],"badges":[],"createdAt":"2025-01-02 08:23:18","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-5750045/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-5750045/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":74137061,"identity":"399b5c15-d7e4-43e3-beab-62ad3089c954","added_by":"auto","created_at":"2025-01-18 11:46:48","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":903899,"visible":true,"origin":"","legend":"","description":"","filename":"Moleculardynamicssimulationofthemechanicalpropertiesofsiliconesealants.pdf","url":"https://assets-eu.researchsquare.com/files/rs-5750045/v1_covered_11218b0a-87f2-430f-9b08-260fef652838.pdf"}],"financialInterests":"No competing interests reported.","formattedTitle":"Molecular dynamics simulation of the mechanical properties of silicone sealants","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":false,"hideJournal":true,"highlight":"","institution":"","isAcceptedByJournal":false,"isAuthorSuppliedPdf":true,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":false,"isPdf":true,"isPdfUpToDate":true,"isWithdrawnOrRetracted":false,"journal":{"display":true,"email":"[email protected]","identity":"researchsquare","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":true,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"/submission","title":"Research Square","twitterHandle":"researchsquare","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"","reportingPortfolio":"","inReviewEnabled":false,"inReviewRevisionsEnabled":true},"keywords":"silicone sealant，molecular dynamic simulation，microstructure，mechanical property，crosslinking","lastPublishedDoi":"10.21203/rs.3.rs-5750045/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-5750045/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"Silicone sealant as a room temperature crosslinking curing silicone polymer material is widely used in curtain wall and prefabricated buildings, the study of the relationship between the crosslinking molecular structure of silicone sealant and its properties is of great significance to improve the mechanical properties of silicone sealant and to design or develop new types of silicone sealant products.Three mixed system models of crosslinking silicone sealant/plasticizer are constructed by molecular dynamics simulation method, and the effect of three influencing factors, namely, crosslinking degree of silicone sealant, plasticizer content and external temperature on the mechanical properties of silicone sealant system are analyzed.The results show that at room temperature, the mechanical properties of silicone sealant system is enhanced with the increase of its crosslinking degree; 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