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A systematic study of tert-butylacrylamide-methyl acrylate-acrylic acid radical solution terpolymerization |
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| Authors: | Maryam Agboluaje Gagandeep Kaur Eva Du?i?ka Anna Urbanová Mohammad Pishnamazi Branislav Horváth Miroslav Janata Vladimír Raus Igor Lacík Robin A Hutchinson |
| Affiliation: | 1. Department of Chemical Engineering, Dupuis Hall, Queen's University, Kingston, Ontario, Canada
Contribution: Formal analysis, ?Investigation, Methodology, Writing - original draft, Writing - review & editing;2. Department of Chemical Engineering, Dupuis Hall, Queen's University, Kingston, Ontario, Canada Contribution: Data curation, ?Investigation, Methodology;3. Department for Biomaterials Research, Polymer Institute of the Slovak Academy of Sciences, Bratislava, Slovakia Contribution: Data curation, ?Investigation, Methodology;4. Department for Biomaterials Research, Polymer Institute of the Slovak Academy of Sciences, Bratislava, Slovakia Contribution: Data curation, ?Investigation;5. Faculty of Pharmacy, Comenius University in Bratislava, Bratislava, Slovakia Contribution: Data curation, ?Investigation, Methodology, Writing - original draft;6. Institute of Macromolecular Chemistry, Czech Academy of Sciences, Prague, Czech Republic Contribution: Data curation, ?Investigation, Methodology;7. Institute of Macromolecular Chemistry, Czech Academy of Sciences, Prague, Czech Republic Contribution: ?Investigation, Methodology, Writing - original draft, Writing - review & editing;8. Department for Biomaterials Research, Polymer Institute of the Slovak Academy of Sciences, Bratislava, Slovakia Centre for Advanced Materials Application, Slovak Academy of Sciences, Bratislava, Slovakia Contribution: Data curation, Formal analysis, Funding acquisition, Methodology, Project administration, Supervision, Writing - original draft, Writing - review & editing;9. Department of Chemical Engineering, Dupuis Hall, Queen's University, Kingston, Ontario, Canada |
| Abstract: | Multi-functional polymers used for personal care products can be synthesized by radical polymerization of acrylic acid (AA) in alcohol/water solutions with non-functional monomers such as methyl acrylate (MA) and N-tert-butylacrylamide (t-BuAAm). However, solvents capable of forming or disrupting hydrogen bonds cause the polymerization kinetics of these monomers to deviate from their polymerization behaviour in bulk and non-polar solvents. In this work, a previous mechanistic model developed for MA/t-BuAAm copolymerization is extended to represent the terpolymerization system MA/t-BuAAm/AA. The additional kinetic coefficients required for the system are estimated from fitting to AA homopolymerizations and AA/MA and AA/t-BuAAm copolymerizations conducted in an ethanol/water solution. In-situ nuclear magnetic resonance (NMR) spectroscopy is used to follow monomer conversions and composition drift behaviour, with the molar mass distributions of the polymer products characterized by size-exclusion chromatography. Although AA is more reactive than MA in non-polar solvents, the reactivities of the two monomers equalize under the experimental conditions examined. Thus, the batch and semi-batch terpolymerization data collected are represented equally well by a reduced acrylate/t-BuAAm copolymerization model and the full terpolymerization implementation. |
| Keywords: | modelling and simulation studies polymerization kinetics radical terpolymerization solvent effects |