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Processes 2018, 6(1), 3;

On the Thermal Self-Initiation Reaction of n-Butyl Acrylate in Free-Radical Polymerization

Department of Chemical and Biological Engineering, Drexel University, Philadelphia, PA 19104, USA
Axalta Coating Systems, Wilmington, DE 19803, USA
Department of Chemistry, University of Pennsylvania, Philadelphia, PA 19104, USA
Author to whom correspondence should be addressed.
These authors contributed equally to this work.
Received: 13 December 2017 / Revised: 30 December 2017 / Accepted: 31 December 2017 / Published: 4 January 2018
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This experimental and theoretical study deals with the thermal spontaneous polymerization of n-butyl acrylate (n-BA). The polymerization was carried out in solution (n-heptane as the solvent) at 200 and 220 °C without adding any conventional initiators. It was studied with the five different n-BA/n-heptane volume ratios: 50/50, 70/30, 80/20, 90/10, and 100/0. Extensive experimental data presented here show significant monomer conversion at all temperatures and concentrations confirming the occurrence of the thermal self-initiation of the monomer. The order, frequency factor, and activation energy of the thermal self-initiation reaction of n-BA were estimated from n-BA conversion, using a macroscopic mechanistic model. The estimated reaction order agrees well with the order obtained via our quantum chemical calculations. Furthermore, the frequency factor and activation energy estimates agree well with the corresponding values that we already reported for bulk polymerization of n-BA. View Full-Text
Keywords: n-butyl acrylate; thermal self-initiation; free-radical polymerization; reaction order n-butyl acrylate; thermal self-initiation; free-radical polymerization; reaction order

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Riazi, H.; Shamsabadi, A.A.; Corcoran, P.; Grady, M.C.; Rappe, A.M.; Soroush, M. On the Thermal Self-Initiation Reaction of n-Butyl Acrylate in Free-Radical Polymerization. Processes 2018, 6, 3.

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