Kinetic model of a Diels-Alder reaction in a molten state : thermal and viscoelastic behaviour
ID Ručigaj, Aleš (Author), ID Kobal, Tjaž (Author), ID Šebenik, Urška (Author), ID Krajnc, Matjaž (Author)

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Information on the reaction kinetics in the melt is a valuable prerequisite for a successful application of self-healing ability to benzoxazine-based thermosetting resins. The goal of this research was to develop a kinetic model of the Diels–Alder (DA) reaction in a molten state between N-phenylmaleimide (PMI) and benzoxazine-containing furan group (G-f). Rheological data were found to be of significant importance in the kinetic model development and interpretation. The increase in viscosity, the occurrence of side reactions, and equilibrium between DA and r-DA reaction were identified as possible reasons for the deceleration of reaction rate and limiting conversion. After a thorough investigation of the studied system, accompanied by the knowledge from the literature, the potential reason for the incomplete conversion of reactants was reduced to the crossover between chemically and diffusion-controlled reaction due to the increasing viscosity of reaction system. Accordingly, the kinetic model based on the combination of Rabinowitch equation and Chern–Poehlein model was used to accurately describe the progress of the studied reaction in the molten state.

Keywords:Diels-Alder reaction, molten state, thermal behaviour, rheology, kinetic model
Work type:Article
Typology:1.01 - Original Scientific Article
Organization:FKKT - Faculty of Chemistry and Chemical Technology
Publication status:Published
Publication version:Author Accepted Manuscript
Number of pages:Str. 1377-1397
Numbering:Vol. 77, no. 3
PID:20.500.12556/RUL-107693 This link opens in a new window
ISSN on article:0170-0839
DOI:10.1007/s00289-019-02805-z This link opens in a new window
COBISS.SI-ID:1538222787 This link opens in a new window
Publication date in RUL:14.05.2019
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Record is a part of a journal

Title:Polymer bulletin
Shortened title:Polym. bull.
Publisher:Springer Nature
COBISS.SI-ID:26154240 This link opens in a new window

Secondary language

Keywords:Diels-Alderjeva reakcija, staljeno stanje, termično obnašanje, reologija, kinetični modeli


Funder:ARRS - Slovenian Research Agency
Project number:P2-0191
Name:Kemijsko inženirstvo

Funder:ARRS - Slovenian Research Agency
Project number:N2-0033
Name:Multifunkcionalni hibridni duromeri iz bio-obnovljivih virov: Sinteza, karakterizacija in uporaba v kompozitih

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