Range-Aware Two-Stage Modeling for Feed Ratio Optimization in Fluoroelastomers: Mechanistic Pathways from NMR Structural Features to Macroscopic Properties.
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| Title: | Range-Aware Two-Stage Modeling for Feed Ratio Optimization in Fluoroelastomers: Mechanistic Pathways from NMR Structural Features to Macroscopic Properties. |
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| Authors: | Liu, Yaxian1,2,3 (AUTHOR), Wu, Yadong1,2,4 (AUTHOR) selobdvat@gmail.com, Lin, Zhoujun3,4,5 (AUTHOR), Peng, Lijuan4,6 (AUTHOR), Fu, Hongwei1,2,5 (AUTHOR) |
| Source: | Materials (1996-1944). Oct2025, Vol. 18 Issue 19, p4618. 22p. |
| Subjects: | Fluoroelastomers, Nuclear magnetic resonance spectroscopy, Process optimization, Materials science, Model validation, Causal models, Quantitative research |
| Abstract: | This study developed the RATS (Range-Aware Two-Stage) modeling approach to establish mechanistic foundations for feed ratio optimization in fluoroelastomers. Using 19F NMR spectroscopic analysis, the approach decomposes complex composition–property relationships into sequential processes: monomer feed ratios to NMR-derived structural features, and structural features to properties, enabling mechanistic pathway analysis through quantifiable structural intermediates. Using 52 industrial datasets, RATS achieved an average R2 of 0.90 across four property predictions, representing a 0.14 improvement over direct modeling and a 28% reduction in prediction error. The approach identified 72 systematic transmission pathways, including promoting effects of PMVE-series structures (+0.220 influence strength) and inhibitory effects of VDF monomers (−0.219 influence strength), through quantified model parameter analysis. This methodology provides a practical analytical tool for mechanism-driven feed ratio optimization, facilitating the transition from empirical trial-and-error to systematic, data-guided fluoroelastomer formulation. [ABSTRACT FROM AUTHOR] |
| Copyright of Materials (1996-1944) is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
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| Header | DbId: egs DbLabel: Engineering Source An: 188676986 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Range-Aware Two-Stage Modeling for Feed Ratio Optimization in Fluoroelastomers: Mechanistic Pathways from NMR Structural Features to Macroscopic Properties. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Liu%2C+Yaxian%22">Liu, Yaxian</searchLink><relatesTo>1,2,3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Wu%2C+Yadong%22">Wu, Yadong</searchLink><relatesTo>1,2,4</relatesTo> (AUTHOR)<i> selobdvat@gmail.com</i><br /><searchLink fieldCode="AR" term="%22Lin%2C+Zhoujun%22">Lin, Zhoujun</searchLink><relatesTo>3,4,5</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Peng%2C+Lijuan%22">Peng, Lijuan</searchLink><relatesTo>4,6</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Fu%2C+Hongwei%22">Fu, Hongwei</searchLink><relatesTo>1,2,5</relatesTo> (AUTHOR) – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Materials+%281996-1944%29%22">Materials (1996-1944)</searchLink>. Oct2025, Vol. 18 Issue 19, p4618. 22p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Fluoroelastomers%22">Fluoroelastomers</searchLink><br /><searchLink fieldCode="DE" term="%22Nuclear+magnetic+resonance+spectroscopy%22">Nuclear magnetic resonance spectroscopy</searchLink><br /><searchLink fieldCode="DE" term="%22Process+optimization%22">Process optimization</searchLink><br /><searchLink fieldCode="DE" term="%22Materials+science%22">Materials science</searchLink><br /><searchLink fieldCode="DE" term="%22Model+validation%22">Model validation</searchLink><br /><searchLink fieldCode="DE" term="%22Causal+models%22">Causal models</searchLink><br /><searchLink fieldCode="DE" term="%22Quantitative+research%22">Quantitative research</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: This study developed the RATS (Range-Aware Two-Stage) modeling approach to establish mechanistic foundations for feed ratio optimization in fluoroelastomers. Using 19F NMR spectroscopic analysis, the approach decomposes complex composition–property relationships into sequential processes: monomer feed ratios to NMR-derived structural features, and structural features to properties, enabling mechanistic pathway analysis through quantifiable structural intermediates. Using 52 industrial datasets, RATS achieved an average R2 of 0.90 across four property predictions, representing a 0.14 improvement over direct modeling and a 28% reduction in prediction error. The approach identified 72 systematic transmission pathways, including promoting effects of PMVE-series structures (+0.220 influence strength) and inhibitory effects of VDF monomers (−0.219 influence strength), through quantified model parameter analysis. This methodology provides a practical analytical tool for mechanism-driven feed ratio optimization, facilitating the transition from empirical trial-and-error to systematic, data-guided fluoroelastomer formulation. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Materials (1996-1944) is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=egs&AN=188676986 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.3390/ma18194618 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 22 StartPage: 4618 Subjects: – SubjectFull: Fluoroelastomers Type: general – SubjectFull: Nuclear magnetic resonance spectroscopy Type: general – SubjectFull: Process optimization Type: general – SubjectFull: Materials science Type: general – SubjectFull: Model validation Type: general – SubjectFull: Causal models Type: general – SubjectFull: Quantitative research Type: general Titles: – TitleFull: Range-Aware Two-Stage Modeling for Feed Ratio Optimization in Fluoroelastomers: Mechanistic Pathways from NMR Structural Features to Macroscopic Properties. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Liu, Yaxian – PersonEntity: Name: NameFull: Wu, Yadong – PersonEntity: Name: NameFull: Lin, Zhoujun – PersonEntity: Name: NameFull: Peng, Lijuan – PersonEntity: Name: NameFull: Fu, Hongwei IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 10 Text: Oct2025 Type: published Y: 2025 Identifiers: – Type: issn-print Value: 19961944 Numbering: – Type: volume Value: 18 – Type: issue Value: 19 Titles: – TitleFull: Materials (1996-1944) Type: main |
| ResultId | 1 |
