A Combined Computational and Experimental Study on the Polymerization of epsilon-Caprolactone

Autor(es)

Rosa, Raphael P. ^[1] ; Ferreira, Filipe V. ^{[1, 2]} ; Saravia, Ana Paola K. ^[3] ; Rocco, Silvana A. ^[4] ; Sforca, Mauricio L. ^[4] ; Gouveia, Rubia F. ^[2] ; Lona, Liliane M. F. ^[1]

Afiliação do(s) autor(es)

^[1] Univ Estadual Campinas, Sch Chem Engn, Campinas, SP - Brazil

^[2] Brazilian Ctr Res Energy & Mat CNPEM, Brazilian Nanotechnol Natl Lab LNNano, Campinas, SP - Brazil

^[3] Fed Univ Parana UFPR, Dept Mat Engn, Curitiba, Parana - Brazil

^[4] Brazilian Ctr Res Energy & Mat CNPEM, Brazilian Biosci Natl Lab LNBio, Campinas, SP - Brazil

• Tipo de documento: Artigo Científico
• Fonte: Industrial & Engineering Chemistry Research; v. 57, n. 40, p. 13387-13395, OCT 10 2018.
• Citações Web of Science: 5

Resumo

This paper reports the study on the synthesis of poly(epsilon-caprolactone)-PCL by ring-opening polymerization (ROP) of epsilon-caprolactone (CL) monomer with focus on mathematic developing of the growth mechanisms of polymer chain. Kinetics and mathematical modeling of ROP of CL was carried out to replicate the different experimental conditions. The computational results of conversion and molecular weight of the polymer were found to be comparable with the experimental results of nuclear magnetic resonance (NMR) spectroscopy and showed that the polymerization is highly dependent on the moisture (ROH). Moreover, parametric studies have shown how the concentrations of octanoic acid and catalyst affect the conversion and molecular weight of the polymer. The study here presented provides further understanding of synthesis of PCL, reporting mathematical models of PCL synthesis which can be used for predicting the characteristic of this biocompatible and biodegradable polymer. (AU)

• Processo FAPESP: 16/19847-1 - Modelagem e simulação de processos de polimerização por abertura de anel para a produção de poli (L-ácido lático) (PLLA)
• Beneficiário: Raphael Palucci Rosa
• Modalidade de apoio: Bolsas no Brasil - Mestrado
• Processo FAPESP: 16/09588-9 - Funcionalização de nanocristais de celulose para o desenvolvimento de nanocompósitos biodegradáveis PBAT/CNC
• Beneficiário: Filipe Vargas Ferreira
• Modalidade de apoio: Bolsas no Brasil - Doutorado