A graph-structural method for prediction of polymer properties



Título del documento: A graph-structural method for prediction of polymer properties
Revista: Brazilian journal of chemical engineering
Base de datos: PERIÓDICA
Número de sistema: 000308923
ISSN: 0104-6632
Autores: 1

2
Instituciones: 1Universidade Federal do Rio de Janeiro, Escola de Quimica, Rio de Janeiro. Brasil
2Universidade Federal do Rio Grande do Norte, Departamento de Engenharia Quimica, Natal, Rio Grande do Norte. Brasil
Año:
Periodo: Dic
Volumen: 21
Número: 4
Paginación: 621-628
País: Brasil
Idioma: Inglés
Tipo de documento: Artículo
Enfoque: Experimental, aplicado
Resumen en inglés Group contribution methods have been widely used for the estimation and prediction of properties of a great variety of chemical compounds and mixtures of compounds. In this paper, the glass transition temperature of polymers is evaluated by a second-order group contribution method previously developed by Ourique and Silva Telles (1997). From a total of 1018 polymers in the data base, 923 are selected as the training set to which group and interacting group contributions are assigned. The remaining 95 polymers are used as the validation set. Results are compared to the ones obtained by application method of Van Krevelen method's to the same data base
Disciplinas: Química
Palabras clave: Química de polímeros,
Ingeniería química,
Vidrio,
Temperatura de transición,
Método de gráficas estructurales,
Estimación de propiedades
Keyword: Chemistry,
Polymer chemistry,
Chemical engineering,
Glass,
Transition temperature,
Graph-structural method,
Properties estimation
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