Range-Aware Two-Stage Modeling for Feed Ratio Optimization in Fluoroelastomers: Mechanistic Pathways from NMR Structural Features to Macroscopic Properties.

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

SUBMITTER: Liu Y 

PROVIDER: S-EPMC12525985 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature