Effect of properties of polymeric catalysts in organic reactions: experimental study and mathematical modeling

• Grant number: 21/10350-5
• Support Opportunities: Regular Research Grants
• Start date: June 01, 2022
• End date: May 31, 2024
• Field of knowledge: Engineering - Chemical Engineering - Chemical Technology
• Principal Investigator: Leandro Gonçalves de Aguiar
• Grantee: Leandro Gonçalves de Aguiar
• Host Institution: Escola de Engenharia de Lorena (EEL). Universidade de São Paulo (USP). Lorena , SP, Brazil
• Associated researchers: Alirio Egidio Rodrigues ; Nuno André Barbosa dos Santos Graça

Abstract

This project proposes the synthesis of a polymeric catalyst with outstanding efficiency in organic reactions, as well as the modeling of its synthesis and application in an integrated way. The polymeric support will be synthesized through free radical copolymerization of styrene with different crosslinkers such as Ethylene Glycol Dimethacrylate (EGDMA) and Trimethylolpropane Triacrylate (TMPTA). The particles obtained in the copolymerization will be sulfonated for attaching catalytic sites, and one of the objectives of the project is to increase the content of catalytic sites in the particle relatively to previous results. Once sulfonated, the particles will act as a catalyst in an organic reaction, whose extent will be quantified by chromatography and titrations (Karl Fischer for water content determination). A model for copolymerization will be developed in order to predict the structure of the polymeric network to be formed as a function of the crosslinker feed regimes (batch and semi-batch). Such effects will be evidenced in analyzes such as swelling index and specific surface. The information generated by this model (e.g., degree of crosslinking) will be fed into a second model which will describe the catalysis process, and will be useful in estimating the accessibility of catalytic sites. The two models will be developed in Scilab and will be validated in an integrated way with the data to be obtained in the experiments (AU)