Computational study of the kinetics and mechanism of radical polymerization of acrylic acid and derivatives in organic solvents

RSC Advances 2026 Open access

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Authors: Mai Van Bay, Pham Thi Thuy Linh, Truong Le Bich Tram, Nguyen Thi Hoa, Ádám Mechler, Quan V. Vo
DOI: 10.1039/d5ra09849a
Cited by: 1
References: 66

Abstract

, respectively) align well with experimental results, validating the accuracy and reliability of the computational approach. The effect is more pronounced in toluene due to the absence of hydrogen-bonding interactions, underscoring the key role of the solvent in controlling propagation kinetics. This study predicts that solvent polarity and the properties of the radical strongly govern the kinetics of AAD polymerization, thereby providing useful mechanistic insights for optimizing radical polymerization in non-aqueous media.

Fields of Study & Subjects

Advanced Polymer Synthesis and Characterization Photopolymerization techniques and applications Polymer Science and PVC

Publication details

Journal / source
RSC Advances
Publisher
Royal Society of Chemistry (RSC)
Volume
16
Issue
9
Pages
8289–8299
Publication date
1 January 2026
Language
EN