Multi‐Component Kinetic Modeling for Controlling Local Compositions in Thermosensitive Polymers

Abstract Summary: An explicit terminal copolymerization kinetic model accounting for the copolymerization of up to four different comonomers is developed and applied to model the conversion profiles and local compositional gradients in functionalized PNIPAM‐based polymer and hydrogel systems. The kinetics of the functional comonomer(s) have a large influence on both the mole fraction and chain distribution of functional groups in polymers. Strategies are developed to synthesize polymers with uniform compositions by applying semi‐batch techniques or via copolymerization of multiple monomers with the same target functionality but with divergent reactivities relative to NIPAM. Synthetic protocols are also designed to maximize the compositional uniformity and randomness of ampholytic polymers. Instantaneous mole fractions of monomers in polymers as a function of the overall monomer conversion for the copolymerizations of NIPAM, MBA, and two functional monomers: MMA and acrylamide. magnified image Instantaneous mole fractions of monomers in polymers as a function of the overall monomer conversion for the copolymerizations of NIPAM, MBA, and two functional monomers: MMA and acrylamide.