ArticleACS omega2026
Data-Efficient Mapping of Copolymerization Curves and Reactivity Ratios via Gradient Flow Polymerization, Inline ATR-FTIR, and Lasso Regression.
Article in ACS omega, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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15 authors.
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Abstract
Copolymerization curves and reactivity-ratio estimates are traditionally derived from sparse offline data collected across many separate experiments. Here, we propose a data-efficient workflow for apparent finite-conversion reactivity-ratio estimation that combines gradient continuous-flow free-radical copolymerization, inline ATR-FTIR spectroscopy, and sparse linear regression to reconstruct dense concentration and composition trajectories from minimal offline quantitation. Using styrene/methyl methacrylate as a benchmark system, we performed a time-programmed zigzag sweep of the styrene/MMA feed ratio at constant total flow and acquired more than 700 inline ATR-FTIR spectra in a single ∼4 h run at each of 70, 80, and 90 °C. Only ten offline UHPLC anchor points per run were used to calibrate Lasso models for monomer concentration prediction, enabling high-density reconstruction of the reference monomer composition
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