Molecular Sieve Compositing Strategy Enabling Tandem Ammoxidation-Oxidation to 2-Nitropropane: Catalyst Design and Industrial-Scale Separation

Molecular Sieve Compositing Strategy Enabling Tandem Ammoxidation-Oxidation to 2-Nitropropane: Catalyst Design and Industrial-Scale Separation | 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 Sieve Compositing Strategy Enabling Tandem Ammoxidation-Oxidation to 2-Nitropropane: Catalyst Design and Industrial-Scale Separation Jie Liu, Qingyan Chu, Guangliang Wang, Xiaoyang Zhang, Xiaowei Feng, and 3 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-7983783/v1 This work is licensed under a CC BY 4.0 License Status: Under Review Version 1 posted 9 You are reading this latest preprint version Abstract Conventional nitration methods using concentrated nitric acid pose significant safety and environmental risks. To address this, a dual-base-modified composite catalyst (TS-1@Ti-MWW-OH) was designed for efficient 2-nitropropane synthesis via acetone ammoxidation/oxidation. Structural characterization confirmed that compositing TS-1 with Ti-MWW and modifying with 4-methoxypyridine/ethanolamine increased specific surface area (32%), pore volume (28%), and pore size (1.8 nm), enhancing mass transfer and active site accessibility. Mechanistic studies revealed a synergistic relay catalysis: Ti 4+ sites on Ti-MWW catalyzed acetone→acetone oxime conversion, while Ti 4+ on TS-1 oxidized oxime→2-nitropropane, achieving 92.2% yield. Process simulation via Aspen Plus V14 demonstrated industrial-scale production of 13,000 t/year 2-nitropropane (≥ 99.99 wt%) and 760 t/year acetone oxime (≥ 99.8 wt%), with stable operation ≥ 8,000 h/year validated by RADFRAC and tray hydraulics analysis. Additionally, column sizing (height and diameter) and tray hydraulics analysis performed using the Tray Sizing module confirmed that the maximum flooding ratio remains within permissible operating limits.This work provides a sustainable strategy for nitroalkane production through tailored catalyst design and optimized process engineering. TS-1 Ammonia oxidation Composite catalyst Green catalysis Distillation column Full Text Additional Declarations No competing interests reported. Supplementary Files Spaper.docx Cite Share Download PDF Status: Under Review Version 1 posted Editorial decision: Revision requested 11 Nov, 2025 Reviews received at journal 11 Nov, 2025 Reviews received at journal 07 Nov, 2025 Reviewers agreed at journal 07 Nov, 2025 Reviewers agreed at journal 07 Nov, 2025 Reviewers invited by journal 05 Nov, 2025 Editor assigned by journal 04 Nov, 2025 Submission checks completed at journal 04 Nov, 2025 First submitted to journal 29 Oct, 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-7983783","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":543241503,"identity":"fed201ed-92ae-472e-a418-fdf6f63619f6","order_by":0,"name":"Jie Liu","email":"","orcid":"","institution":"Shandong University of Technology","correspondingAuthor":false,"prefix":"","firstName":"Jie","middleName":"","lastName":"Liu","suffix":""},{"id":543241504,"identity":"a94bb800-447b-441a-bd0b-60444bc26bd3","order_by":1,"name":"Qingyan 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To address this, a dual-base-modified composite catalyst (TS-1@Ti-MWW-OH) was designed for efficient 2-nitropropane synthesis via acetone ammoxidation/oxidation. Structural characterization confirmed that compositing TS-1 with Ti-MWW and modifying with 4-methoxypyridine/ethanolamine increased specific surface area (32%), pore volume (28%), and pore size (1.8 nm), enhancing mass transfer and active site accessibility. Mechanistic studies revealed a synergistic relay catalysis: Ti\u003csup\u003e4+\u003c/sup\u003e sites on Ti-MWW catalyzed acetone\u0026rarr;acetone oxime conversion, while Ti\u003csup\u003e4+\u003c/sup\u003e on TS-1 oxidized oxime\u0026rarr;2-nitropropane, achieving 92.2% yield. Process simulation via Aspen Plus V14 demonstrated industrial-scale production of 13,000 t/year 2-nitropropane (\u0026ge;\u0026thinsp;99.99 wt%) and 760 t/year acetone oxime (\u0026ge;\u0026thinsp;99.8 wt%), with stable operation\u0026thinsp;\u0026ge;\u0026thinsp;8,000 h/year validated by RADFRAC and tray hydraulics analysis. Additionally, column sizing (height and diameter) and tray hydraulics analysis performed using the Tray Sizing module confirmed that the maximum flooding ratio remains within permissible operating limits.This work provides a sustainable strategy for nitroalkane production through tailored catalyst design and optimized process engineering.\u003c/p\u003e","manuscriptTitle":"Molecular Sieve Compositing Strategy Enabling Tandem Ammoxidation-Oxidation to 2-Nitropropane: Catalyst Design and Industrial-Scale Separation","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2025-11-14 15:46:00","doi":"10.21203/rs.3.rs-7983783/v1","editorialEvents":[{"type":"communityComments","content":0},{"type":"decision","content":"Revision requested","date":"2025-11-11T10:05:06+00:00","index":"","fulltext":""},{"type":"editorInvitedReview","content":"","date":"2025-11-11T05:12:01+00:00","index":"hide","fulltext":""},{"type":"editorInvitedReview","content":"","date":"2025-11-08T00:25:02+00:00","index":"hide","fulltext":""},{"type":"reviewerAgreed","content":"324127399957026598104261375756404332567","date":"2025-11-07T13:51:39+00:00","index":"hide","fulltext":""},{"type":"reviewerAgreed","content":"253532415812524491884455616901046925964","date":"2025-11-07T13:16:26+00:00","index":"hide","fulltext":""},{"type":"reviewersInvited","content":"","date":"2025-11-05T13:11:26+00:00","index":"","fulltext":""},{"type":"editorAssigned","content":"","date":"2025-11-05T04:20:39+00:00","index":"","fulltext":""},{"type":"checksComplete","content":"","date":"2025-11-05T04:19:28+00:00","index":"","fulltext":""},{"type":"submitted","content":"Catalysis Letters","date":"2025-10-30T00:42:08+00:00","index":"","fulltext":""}],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"catalysis-letters","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":false,"externalIdentity":"","sideBox":"Learn more about [Catalysis Letters](https://link.springer.com/journal/10562)","snPcode":"10562","submissionUrl":"https://submission.springernature.com/new-submission/10562/3","title":"Catalysis Letters","twitterHandle":"","acdcEnabled":true,"dfaEnabled":true,"editorialSystem":"stoa","reportingPortfolio":"Springer Hybrid","inReviewEnabled":true,"inReviewRevisionsEnabled":false}}],"origin":"","ownerIdentity":"10fb3406-9d43-405c-b762-0d769776d890","owner":[],"postedDate":"November 14th, 2025","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"under-review","subjectAreas":[],"tags":[],"updatedAt":"2025-12-03T12:53:32+00:00","versionOfRecord":[],"versionCreatedAt":"2025-11-14 15:46:00","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-7983783","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-7983783","identity":"rs-7983783","version":["v1"]},"buildId":"8U1c8b4HqxoKbykW_rLl7","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}