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Modeling of organocatalized atom-transfer radical polymerization of metyl methacrylate

Grant number: 19/02468-6
Support type:Scholarships in Brazil - Master
Effective date (Start): August 01, 2019
Effective date (End): February 28, 2021
Field of knowledge:Engineering - Chemical Engineering
Principal Investigator:Roniérik Pioli Vieira
Grantee:Ana Gabriela Belmonte Assalin
Home Institution: Faculdade de Engenharia Química (FEQ). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil

Abstract

Atom-Transfer Radical Polymerization (ATRP) is known as the most powerful controlled polymerization technique. This technology provides a synthesizing ability of well-defined polymers with a wide range of monomers at low temperatures and also with an impurities-resistant process. However, transition metal catalysts, which are in the process, lead to the polymers contamination. The high cost of purification makes the ATRP end up losing competitiveness in terms of industrial applications. Fortunately, a recent discovery of Organocalized Atom-Transfer Radical Polymerization (O-ATRP) has emerged as a potential alternative to solve this problem. Several studies have evolved in the development of new catalysts for the O-ATRP process, mostly at experimental level. Numerous issues that are closely related to the process are still obscure, such as the effect of photolysis on kinetics and control issues. Therefore, a systematic view on the polymerization kinetics is necessary and will be of great importance for the advancement of O-ATRP. The strategy based in models is a very effective strategy in the studies of polymerization kinetics, as it allows a low cost, fast and versatile analysis, including the mechanism study, a process simulation and the prediction of properties results, such as molar masses and dispersities. Thus, the main objective of this work is to study the kinetics of O-ATRP and, at the same time, develop a computational tool for the study of polymers properties by this technique. It is expected to find optimal conditions for a synthesis of poly (methyl methacrylate) via O-ATRP, as well as accurate information on how the process could be conducted generally to obtain good results in terms of properties of the materials synthesized by this route. (AU)