Density functional study for the polymerization of ethylene monomer using a new nickel catalyst

The present computational study was designed to study the polymerization of ethylene catalyzed by a new Ni-based PymNox organometallic compound. Recently, we have synthesized and tested the behavior of this type of catalyst in olefin polymerization. It has been experimentally observed that the unsub...

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Veröffentlicht in:	Journal of polymer science. Part A, Polymer chemistry Polymer chemistry, 2010-03, Vol.48 (5), p.1160-1165
Hauptverfasser:	Ramos, Javier, Cruz, Víctor L, Martínez-Salazar, Javier, Brasse, Mikael, Palma, Pilar, Campora, Juan
Format:	Artikel
Sprache:	eng
Schlagworte:	Applied sciences calculations Catalysts Density Density functional theory Ethylene ethylene polymerization Exact sciences and technology Mathematical models Monomers Nickel nickel catalyst Organic polymers Physicochemistry of polymers polyethylene (PE) Polymerization Preparation, kinetics, thermodynamics, mechanism and catalysts
Online-Zugang:	Volltext
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