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An Experimental and Computational Approach on Controlled Radical Photopolymerization of Limonene
Author(s) -
da Silva Ramon Victor de Castro Alvarelli,
Vieira Roniérik Pioli
Publication year - 2020
Publication title -
macromolecular chemistry and physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.57
H-Index - 112
eISSN - 1521-3935
pISSN - 1022-1352
DOI - 10.1002/macp.202000199
Subject(s) - photopolymer , monomer , polymerization , dispersity , limonene , polymer , reagent , radical polymerization , molar mass , chemistry , polymer chemistry , chemical engineering , materials science , organic chemistry , chromatography , essential oil , engineering
Limonene is a potential candidate for the synthesis of polymers from renewable and non‐toxic sources. The synthesis of poly(limonene) via controlled photopolymerization is studied for the first time, both at an experimental and computational level. A kinetic modeling is developed and all unknown parameters are estimated by adjusting them to the experimental data (conversion, molar mass, and dispersity). The reasonable model fit indicates that the proposed mechanism can be considered valid for this process simulation. In that fashion, different reagent ratios are evaluated, as well as simulations for long polymerization times. The experiments provide less than 10% monomer conversion at 40 °C, and short times. However, it is possible to identify a reasonable polymerization control (dispersities <1.5). In a complementary way, the simulations allowed to identify a threshold of reagent ratios in order to maintain the polymerization control for conversions around 20%, and at the same time enable monomer conversions at the same level as traditional thermally‐initiated radical polymerizations at high temperatures. Therefore, this new route can be a promising alternative for the synthesis of limonene‐based polymers.