Modeling and Multiobjective Optimization of A Fed‐Batch Emulsion Copolymerization Process to Control the Resulting Particles Core‐Shell Morphology

Abstract

AbstractSummary: This paper deals with the design and control of the morphology of core‐shell nanoparticles elaborated by fed‐batch emulsion copolymerization of styrene and butyl‐acrylate in the presence of a chain transfer agent (n‐dodecyl mercaptan). A mathematical model was elaborated and validated. It consists of a system of differential algebraic equations involving 49 unknown kinetic and thermodynamic parameters, many of them being impossible to be accurately estimated, due to the lack of experimental data. A method based on the sensitivity analysis allowed us to determine a subset of the 21 most influential parameters. The 28 non estimable parameters were taken from the literature. The validated model was then used in a dynamic multiobjective optimization to optimize the best profile of the pre‐emulsion feed rate to control (i) the composition and average molar masses of the copolymer, (ii) the instantaneous glass transition temperature, corresponding to a core‐shell morphology suited for special end‐use properties.