On the Modeling of Acrylic Acid Copolymerization in an Aqueous Solution: A Modular, Integrated Approach

A complete mathematical model of the free-radical copolymerization of acrylic acid in an aqueous solution, taking place in a pilot-scale tubular reactor equipped with static mixers, is presented. The developed kinetic/reactor model is numerically integrated in terms of a coupled deterministic-stochastic numerical approach that combines the advantages of speed, efficiency, and increased predictive capabilities. A series of experimental measurements on the monomer conversion and the molecular weight characteristics of the produced copolymer, under a wide range of process conditions, are used for the identification of the kinetic model parameters while a thorough analysis of the compositional characteristics of the produced copolymers is also carried out in terms of a series of bivariate distributed properties.