Modeling Methyl Methacrylate Free Radical Polymerization: Reaction in Hydrophobic Nanopores

Fatema Begum, Haoyu Zhao, Sindee Simon

Research output: Contribution to journalArticle

Abstract

Free radical polymerization of methyl methacrylate in nanopores has been shown to result in a decrease in the time for the onset of autoacceleration. In this work, we simplify our previous kinetic model of nanoconfined methyl methacrylate polymerization, which was based on the work of Verros and coworkers, and incorporate diffusion effects into the model using the Doolittle free volume theory. The simplified model well describes the experimental calorimetric conversion versus time data for isothermal bulk methyl methacrylate polymerization, capturing autoacceleration and the dependence of the limiting conversion on temperature. In order to model the reaction in nanopores, we assume that the diffusion coefficient scales with molecular size to the -3 power and with nanopore diameter to the 1.3 power. Experimental calorimetric conversion versus time data for polymerization in hydrophobic nanopores are well captured by the model, including the decrease in the time to reach autoacceleratio
Original languageEnglish
Pages (from-to)3261 - 3268
JournalPolymer
DOIs
StatePublished - Jul 6 2012

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