3 research outputs found

    Amidine-Functionalized Poly(2-vinyl-4,4-dimethylazlactone) for Selective and Efficient CO<sub>2</sub> Fixing

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    Development of novel polymeric materials capable of efficient CO<sub>2</sub> capture and separation under ambient conditions is crucial for cost-effective and practical industrial applications. Here we report the facile synthesis of a new CO<sub>2</sub>-responsive polymer through postpolymerization modification of poly­(2-vinyl-4,4-dimethyl­azlactone) (PVDMA). The reactive pendant azlactone groups of PVDMA are easily modified with 4-(<i>N</i>-methyl­tetrahydro­pyrimidine)­benzyl alcohol (PBA) without any byproduct formation. FTIR and TGA experiments show the new PBA-functionalized polymer powder can reversibly capture CO<sub>2</sub> at room temperature and under atmospheric pressure. CO<sub>2</sub> capture was selective, showing a high fixing efficiency even with a mixed gas system (20% CO<sub>2</sub>, 80% N<sub>2</sub>) similar to flue gas. CO<sub>2</sub> release occurred at room temperature, and release profiles were investigated as a function of temperature. Density functional theory (DFT) calculations coupled with modeling and simulation reveal the presence of two CO<sub>2</sub> binding sites in the PBA-functionalized polymer resulting in a two-step CO<sub>2</sub> release at room temperature. The ease of material preparation, high fixing efficiency, and robust release characteristics suggest that postpolymerization modification may be a useful route to designing new materials for CO<sub>2</sub> capture
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