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Modeling of poly (2-difluoromethoxy) ethyl acrylate synthesis via atom transfer radical polymerization

Grant number: 19/07555-4
Support type:Scholarships in Brazil - Scientific Initiation
Effective date (Start): August 01, 2019
Effective date (End): July 31, 2020
Field of knowledge:Engineering - Chemical Engineering - Chemical Technology
Principal researcher:Roniérik Pioli Vieira
Grantee:Camila Medeiros Fonseca
Home Institution: Faculdade de Engenharia Química (FEQ). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil


Poly(2-(difluoromethoxy)ethyl acrylate), synthesized via ATRP, made it possible to obtain amphiphilic block copolymers that can self-assemble into spherical micelles quite easily. The monomer used, 2-(difluoromethoxy)ethyl acrylate (DFMOEA), presents great potential to lead the development of new advanced materials with partially fluorinated segments, since it is easy to be synthesized and the polymers derived may have unique characteristics. At present, the researches that detail the polymerization kinetics of this class of monomers with detailed information on the influence of operational and kinetic parameters on the synthesis process are scarce. In this proposal, we intend to develop a deterministic modeling to simulate the synthesis of poly(DFMOEA) via ATRP. This model will start from molar balances for a batch reactor, considering the traditional mechanism of the ATRP process. Then, the method of moments will be employed to predict the evolution of the molar mass and polymer dispersity. The unknown kinetic parameters will be determined by adjusting the model to the experimental polymerization data obtained from the literature. With the adjusted model, simulations will be performed to understand the effect of operational and kinetic parameters on monomer conversion and material properties. The objective of this study is to evaluate the synthesis conditions that allow the obtaining of larger molar masses, without losing control of the dispersity, characteristics that ensure good properties during the production of polymer nanoparticles.

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