Study of n-Butyl Acrylate Self-Initiation Reaction Experimentally and via Macroscopic Mechanistic Modeling
AbstractThis paper presents an experimental study of the self-initiation reaction of n-butyl acrylate (n-BA) in free-radical polymerization. For the first time, the frequency factor and activation energy of the monomer self-initiation reaction are estimated from measurements of n-BA conversion in free-radical homo-polymerization initiated only by the monomer. The estimation was carried out using a macroscopic mechanistic mathematical model of the reactor. In addition to already-known reactions that contribute to the polymerization, the model considers a n-BA self-initiation reaction mechanism that is based on our previous electronic-level first-principles theoretical study of the self-initiation reaction. Reaction rate equations are derived using the method of moments. The reaction-rate parameter estimates obtained from conversion measurements agree well with estimates obtained via our purely-theoretical quantum chemical calculations. View Full-Text
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Arabi Shamsabadi, A.; Moghadam, N.; Srinivasan, S.; Corcoran, P.; Grady, M.C.; Rappe, A.M.; Soroush, M. Study of n-Butyl Acrylate Self-Initiation Reaction Experimentally and via Macroscopic Mechanistic Modeling. Processes 2016, 4, 15.
Arabi Shamsabadi A, Moghadam N, Srinivasan S, Corcoran P, Grady MC, Rappe AM, Soroush M. Study of n-Butyl Acrylate Self-Initiation Reaction Experimentally and via Macroscopic Mechanistic Modeling. Processes. 2016; 4(2):15.Chicago/Turabian Style
Arabi Shamsabadi, Ahmad; Moghadam, Nazanin; Srinivasan, Sriraj; Corcoran, Patrick; Grady, Michael C.; Rappe, Andrew M.; Soroush, Masoud. 2016. "Study of n-Butyl Acrylate Self-Initiation Reaction Experimentally and via Macroscopic Mechanistic Modeling." Processes 4, no. 2: 15.
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