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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

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

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Author(s):
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]
Total Authors: 7
Affiliation:
[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
Total Affiliations: 4
Document type: Journal article
Source: Industrial & Engineering Chemistry Research; v. 57, n. 40, p. 13387-13395, OCT 10 2018.
Web of Science Citations: 5
Abstract

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)

FAPESP's process: 16/19847-1 - Modeling and simulation of poly(L-lactide) polymerization by ring opening process
Grantee:Raphael Palucci Rosa
Support Opportunities: Scholarships in Brazil - Master
FAPESP's process: 16/09588-9 - Functionalization of cellulose nanocrystals to developing biodegradable nanocomposites PBAT/CNC
Grantee:Filipe Vargas Ferreira
Support Opportunities: Scholarships in Brazil - Doctorate