2018
DOI: 10.1021/acs.iecr.8b03288
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A Combined Computational and Experimental Study on the Polymerization of ε-Caprolactone

Abstract: This paper reports the study on the synthesis of poly(ε-caprolactone)PCL by ring-opening polymerization (ROP) of ε-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) spectros… Show more

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Cited by 21 publications
(13 citation statements)
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“…However, increased durability of these materials has raised strong concerns about the large accumulation of plastic waste in the environment [12]. Thus, the development of cleaner processes associated with the interest in environmentally friendly materials has been the focus of research around the world [13][14][15][16][17]. In this context, the addition of natural fillers (natural fibers, cellulose nanocrystals, and nanofibrillated cellulose) in the polymers has been a way to prepare ecofriendly composites with improved properties, minimizing the problem in relation to the residue accumulation [18][19][20][21].…”
Section: Introductionmentioning
confidence: 99%
“…However, increased durability of these materials has raised strong concerns about the large accumulation of plastic waste in the environment [12]. Thus, the development of cleaner processes associated with the interest in environmentally friendly materials has been the focus of research around the world [13][14][15][16][17]. In this context, the addition of natural fillers (natural fibers, cellulose nanocrystals, and nanofibrillated cellulose) in the polymers has been a way to prepare ecofriendly composites with improved properties, minimizing the problem in relation to the residue accumulation [18][19][20][21].…”
Section: Introductionmentioning
confidence: 99%
“…Finally, blends of TPS with equally biodegradable but more stable polymers have been formed [ 18 ]. Prominent among these is polycaprolactone (PCL), due both to its biodegradation capacity and its good compatibility with a vast number of polymers, PCL is a synthetic aliphatic polyester that is synthesized from a ring-opening polymerization (ROP) with ε-caprolactone as the base monomer by heating or using catalysts [ 19 , 20 ]. PCL is a partially crystalline polymer with a moderate melting temperature of 60 °C.…”
Section: Introductionmentioning
confidence: 99%
“…This scenario has given rise to one of the main current environmental problems . The replacement of non‐biodegradable polymers with biodegradable ones has been an eco‐friendly alternative to minimize the long term accumulation of polymers in the environment . Among biodegradable polymers, poly(butylene adipate‐co‐terephthalate) (PBAT) has drawn significant attention from scientists due to its biodegradability, biocompatibility, high flexibility, and easy processing .…”
Section: Introductionmentioning
confidence: 99%