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Modelling of the interactions between a photochromic naphthopyran and a poly(methyl methacrylate) matrix through the variation of the glass transition temperature and application of the energy/volume/mass (EVM) model

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A quantitative structure property relationship (QSPR) model, called the EVM (energy, volume, mass) model, to calculate the glass transition temperature (T g) of a poly(methyl methacrylate) matrix as a support of a naphthopyran photochromic pigment, as a function of the concentration of this pigment, is described. The interactions between the photochromic pigment and the polymer matrix, and especially the van der Waals non‐bonding interactions, are important for the photochromic behaviour of the optical material and the commercial availability of glasses. The prediction of T g through a multiparametric relationship is interesting for the choice of the best conditions of formulation of the couple photochromic pigment–polymer matrix Copyright © 2004 Society of Chemical Industry
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Keywords: glass transition temperature; modelling by EVM and QSPR; photochromic naphthopyran; poly(methyl methacrylate)

Document Type: Research Article

Affiliations: 1: UMR CNRS 6114, Université de la Méditerranée, 163 Av de Luminy, 13288 Marseille Cedex 9, France 2: Faculté des Sciences et Techniques de Saint-Jérôme, Université d'Aix-Marseille III, Av Escadrille Normandie-Nièmen, 13397 Marseille Cedex 20, France

Publication date: April 1, 2004

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