DFT Study on the Propagation Kinetics of Free-Radical Polymerization of α-Substituted Acrylates

Date

2009

Authors

Degirmenci, Isa
Aviyente, Viktorya
van Speybroeck, Veronique
Waroquier, Michel

Journal Title

Journal ISSN

Volume Title

Publisher

American Chemical Society

Abstract

The kinetics of the free-radical propagation of methyl acrylate (MA), methyl methacrylate (MMA), ethyl a-fluoroacrylate (EFA), ethyl a-chloroacrylate (ECA), ethyl α-cyanoacrylate (ECNA), and methyl α- hydroxymethacrylate (MHMA) have been calculated usin

Description

Keywords

Keywords: 3-D space; Cyanoacrylate; DFT study; Functionals; Isotactic; Methyl acrylates; Methyl methacrylates; Propagation kinetics; Quantum chemical; Tacticity; Acrylic monomers; Addition reactions; Esters; Monomers; Three dimensional; Free radical polymerization

Citation

Source

Macromolecules

Type

Journal article

Book Title

Entity type

Access Statement

License Rights

DOI

10.1021/ma802875z

Restricted until

2037-12-31