Influence of Monomers on the Decomposition Rate of Polymerization Initiators: Quantum-Chemical Calculation of Optimal Structures of Forming Complexes and Their Degradation and Polymerization Initiation Mechanisms

Autor:	D. P. Kiryukhin, Nina S. Emel’yanova, D. A. Gordon, Svetlana I. Kuzina, A. I. Bol’shakov
Rok vydání:	2019
Předmět:	010302 applied physics Quantum chemical 010304 chemical physics Chemistry technology industry and agriculture macromolecular substances Photochemistry 01 natural sciences Decomposition Quantum chemistry law.invention chemistry.chemical_compound External energy Monomer Polymerization law 0103 physical sciences Degradation (geology) Physical and Theoretical Chemistry Electron paramagnetic resonance
Zdroj:	High Energy Chemistry. 53:356-364
ISSN:	1608-3148 0018-1439
Popis:	Using EPR spectroscopy, it has been established that monomers affect the decomposition rate of their polymerization initiators by forming complexes with them. Several structures of the complexes have been optimized, and their decomposition mechanisms, the activation energies of the chain initiation and propagation reactions, and the heat of polymerization have been determined by means of quantum chemistry methods. In the absence of radical inhibitors (evacuation), the polymerization proceeds with high efficiency (98%) at room temperature without stimulation of the system with external energy.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::ff9a9ef6c750a63d2e151619475c100a https://doi.org/10.1134/s0018143919050047 Zobrazit plný text záznamu Plný text ve formátu PDF Plný text ve formátu HTML
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