Kinetic modeling of the copolymerization of acrylic acid and trimethylolpropane triacrylate over pre and post-gelation periods

Author(s)

Aguiar, Leandro G. ^[1] ; Souza, Esmar F. ^[2] ; Giudici, Reinaldo ^[2]

Affiliation

^[1] Univ Sao Paulo, Dept Chem Engn, Escola Engn Lorena, BR-12602810 Lorena, SP - Brazil

^[2] Univ Sao Paulo, Escola Politecn, Dept Chem Engn, BR-05508010 Sao Paulo, SP - Brazil

• Document type: Journal article
• Source: EUROPEAN POLYMER JOURNAL; v. 74, p. 264-278, JAN 2016.
• Web of Science Citations: 2

Abstract

A kinetic model based on method of moments, balance of species and sequences and numerical fractionation was developed for acrylic acid - TMPTA copolymerization. Solution copolymerizations of acrylic acid with trimethylolpropane triacrylate (TMPTA), initiated by sodium persulfate, were carried out at 55 degrees C. The model was compared with a different approach from literature and validated with experimental data from present work. It was a found an acrylic acid propagation rate coefficient at 6000 L mol(-1) s(-1) for the studied conditions. The simulations were successfully performed with a maximum number of generations in the range 3-5. The model was able to provide fair predictions for the studied experiments and additional information about the dead polymer chains formed, such as gel fraction, molecular weight distribution and concentration of cyclic chains. (C) 2015 Elsevier Ltd. All rights reserved. (AU)

• FAPESP's process: 14/22080-9 - Experimental study and mathematical modeling of the production of styrene-based resins and their applications in heterogeneous catalysis
• Grantee: Leandro Gonçalves de Aguiar
• Support type: Regular Research Grants
• FAPESP's process: 12/11532-0 - Synthesis and characterization of hydrogels of poly(acrylic acid): mathematical modeling and applications in controlled drug release
• Grantee: Leandro Gonçalves de Aguiar
• Support type: Scholarships in Brazil - Post-Doctorate