Fe(IV)=O/Fe(V)=O and [FeIVaqO]2+/[FeVaqO]3+ induced high-rate SMX-Cr(VI) simultaneously removal in Fe7S8-PS micro-nano catalytic system

Fe(IV)=O/Fe(V)=O and [FeIVaqO]2+/[FeVaqO]3+ induced high-rate SMX-Cr(VI) simultaneously removal in Fe7S8-PS micro-nano catalytic system | 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 Fe(IV)=O/Fe(V)=O and [FeIVaqO] 2+ /[FeVaqO] 3+ induced high-rate SMX-Cr(VI) simultaneously removal in Fe 7 S 8 -PS micro-nano catalytic system Chunyang Li, Qifeng Fan, Yunhui Zhang, Meng Zhang, Qianling Dong, and 3 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-3027749/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 Conventional persulfate (PS)-based catalytic system devoted to resolving single pollutant sulfamethoxazole (SMX) problems depends on free radicals, which ignores the contribution of non-free radical Fe(IV)/Fe(V) and interaction of co-contamination Cr(VI) and SMX. The production, role, and identification of Fe(IV)/Fe(V) were inefficient, unclear, or not enough. Here, the Fe 7 S 8 -PS micro-nano catalytic system was independently constructed to quickly stimulate Fe(IV)/Fe(V) species production, which was identified by the Mössbauer spectra. The SMX reaction path and degradation rate were increased by Fe(IV) = O/Fe(V) = O at the Fe 7 S 8 interface (providing active chemical bond positions) and the produced [ \(\:{\text{Fe}}_{\text{aq}}^{\text{IV}}\) O] 2+ /[ \(\:{\text{Fe}}_{\text{aq}}^{\text{V}}\) O] 3+ in solution (effectively capturing Fe 3+ and accelerating the transformation to free radical). In the Fe(IV)/Fe(V) species-induced high-rate reaction system, the k SMX (0.0304 min − 1 ) raised 152.0 times as against the k SMX (0.0002 min − 1 ) in the sole Fe 7 S 8 system. SMX had five possible degradation pathways, in which the fractures of S-N and N-C bonds were the two main chain-scission degradation pathways confirmed through density functional theory (DFT) calculation. Furthermore, the Cr(VI) was dominated by a rapid reduction (0.0227 min − 1 ) to low toxicity Cr(III) which eventually adsorbed by the dynamically transformed Fe 7 S 8 and iron-oxide secondary minerals. Hence, the Fe 7 S 8 -PS micro-nano catalytic system provides a new strategy for treating SMX-Cr(VI) co-contaminated groundwater. Earth and environmental sciences/Environmental sciences/Environmental chemistry/Pollution remediation Earth and environmental sciences/Environmental sciences/Environmental chemistry/Environmental monitoring Fe(IV)/Fe(V) DFT Fe7S8 SMX-Cr(VI) kinetic control free radicals Full Text Additional Declarations There is NO Competing Interest. Supplementary Files SupportingInformation.docx Supporting Information Cite Share Download PDF Status: Posted Version 1 posted 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. Our growing team is made up of researchers and industry professionals working together to solve the most critical problems facing scientific publishing. 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-3027749","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":209282073,"identity":"bd8f3e2f-a9ff-4b5e-b0de-7e8312435123","order_by":0,"name":"Chunyang Li","email":"","orcid":"","institution":"Shanghai University","correspondingAuthor":false,"prefix":"","firstName":"Chunyang","middleName":"","lastName":"Li","suffix":""},{"id":209282074,"identity":"fec0cda8-6f15-4151-939b-d5a659d2e60e","order_by":1,"name":"Qifeng Fan","email":"","orcid":"","institution":"Shanghai University","correspondingAuthor":false,"prefix":"","firstName":"Qifeng","middleName":"","lastName":"Fan","suffix":""},{"id":209282075,"identity":"4adcdc7c-f423-4003-9346-99da71a3feb4","order_by":2,"name":"Yunhui Zhang","email":"","orcid":"","institution":"Tongji University","correspondingAuthor":false,"prefix":"","firstName":"Yunhui","middleName":"","lastName":"Zhang","suffix":""},{"id":209282076,"identity":"545dfcc2-961d-4b89-b7ca-8d82836a53a7","order_by":3,"name":"Meng Zhang","email":"","orcid":"","institution":"Shanghai University","correspondingAuthor":false,"prefix":"","firstName":"Meng","middleName":"","lastName":"Zhang","suffix":""},{"id":209282077,"identity":"83516211-6214-440a-94c6-fe6d12a00fe2","order_by":4,"name":"Qianling Dong","email":"","orcid":"","institution":"Shanghai 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SMX-Cr(VI) simultaneously removal in Fe\u003csub\u003e7\u003c/sub\u003eS\u003csub\u003e8\u003c/sub\u003e-PS micro-nano catalytic system\u003c/p\u003e","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":true,"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":"Fe(IV)/Fe(V), DFT, Fe7S8, SMX-Cr(VI), kinetic control, free radicals","lastPublishedDoi":"10.21203/rs.3.rs-3027749/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-3027749/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eConventional persulfate (PS)-based catalytic system devoted to resolving single pollutant sulfamethoxazole (SMX) problems depends on free radicals, which ignores the contribution of non-free radical Fe(IV)/Fe(V) and interaction of co-contamination Cr(VI) and SMX. The production, role, and identification of Fe(IV)/Fe(V) were inefficient, unclear, or not enough. Here, the Fe\u003csub\u003e7\u003c/sub\u003eS\u003csub\u003e8\u003c/sub\u003e-PS micro-nano catalytic system was independently constructed to quickly stimulate Fe(IV)/Fe(V) species production, which was identified by the M\u0026ouml;ssbauer spectra. The SMX reaction path and degradation rate were increased by Fe(IV)\u0026thinsp;=\u0026thinsp;O/Fe(V)\u0026thinsp;=\u0026thinsp;O at the Fe\u003csub\u003e7\u003c/sub\u003eS\u003csub\u003e8\u003c/sub\u003e interface (providing active chemical bond positions) and the produced [\u003cspan class=\"InlineEquation\"\u003e\u003cspan class=\"mathinline\"\u003e\\(\\:{\\text{Fe}}_{\\text{aq}}^{\\text{IV}}\\)\u003c/span\u003e\u003c/span\u003eO]\u003csup\u003e2+\u003c/sup\u003e/[\u003cspan class=\"InlineEquation\"\u003e\u003cspan class=\"mathinline\"\u003e\\(\\:{\\text{Fe}}_{\\text{aq}}^{\\text{V}}\\)\u003c/span\u003e\u003c/span\u003eO]\u003csup\u003e3+\u003c/sup\u003e in solution (effectively capturing Fe\u003csup\u003e3+\u003c/sup\u003e and accelerating the transformation to free radical). In the Fe(IV)/Fe(V) species-induced high-rate reaction system, the \u003cem\u003ek\u003c/em\u003e\u003csub\u003eSMX\u003c/sub\u003e (0.0304 min\u003csup\u003e\u0026minus;\u0026thinsp;1\u003c/sup\u003e) raised 152.0 times as against the \u003cem\u003ek\u003c/em\u003e\u003csub\u003eSMX\u003c/sub\u003e (0.0002 min\u003csup\u003e\u0026minus;\u0026thinsp;1\u003c/sup\u003e) in the sole Fe\u003csub\u003e7\u003c/sub\u003eS\u003csub\u003e8\u003c/sub\u003e system. SMX had five possible degradation pathways, in which the fractures of S-N and N-C bonds were the two main chain-scission degradation pathways confirmed through density functional theory (DFT) calculation. Furthermore, the Cr(VI) was dominated by a rapid reduction (0.0227 min\u003csup\u003e\u0026minus;\u0026thinsp;1\u003c/sup\u003e) to low toxicity Cr(III) which eventually adsorbed by the dynamically transformed Fe\u003csub\u003e7\u003c/sub\u003eS\u003csub\u003e8\u003c/sub\u003e and iron-oxide secondary minerals. Hence, the Fe\u003csub\u003e7\u003c/sub\u003eS\u003csub\u003e8\u003c/sub\u003e-PS micro-nano catalytic system provides a new strategy for treating SMX-Cr(VI) co-contaminated groundwater.\u003c/p\u003e\u003cp\u003e\u003c/p\u003e","manuscriptTitle":"Fe(IV)=O/Fe(V)=O and [FeIVaqO]2+/[FeVaqO]3+ induced high-rate SMX-Cr(VI) simultaneously removal in Fe7S8-PS micro-nano catalytic system","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2025-08-01 10:03:33","doi":"10.21203/rs.3.rs-3027749/v1","editorialEvents":[{"type":"communityComments","content":0}],"status":"published","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}}],"origin":"","ownerIdentity":"bdb4dd7e-e23b-4516-9b39-90577a62508c","owner":[],"postedDate":"August 1st, 2025","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"posted","subjectAreas":[{"id":52488504,"name":"Earth and environmental sciences/Environmental sciences/Environmental chemistry/Pollution remediation"},{"id":52488505,"name":"Earth and environmental sciences/Environmental sciences/Environmental chemistry/Environmental monitoring"}],"tags":[],"updatedAt":"2025-08-01T10:03:34+00:00","versionOfRecord":[],"versionCreatedAt":"2025-08-01 10:03:33","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-3027749","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-3027749","identity":"rs-3027749","version":["v1"]},"buildId":"8U1c8b4HqxoKbykW_rLl7","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}