Modelagem molecular aplicada à vulcanização

• Autor(a) principal: Martins, Caio Daflon
• Data de Publicação: 2021
• Outros Autores: [e-mail]
• Tipo de documento: Dissertação
• Idioma: por
• Título da fonte: Biblioteca Digital de Teses e Dissertações da UERJ
• Texto Completo: http://www.bdtd.uerj.br/handle/1/17057
• topic: Molecular modeling; Semiempirical method; Vulcanization; Vegetable oils; Vulcanização; Óleos vegetais; Polímeros; Misturas; Borracha; Cera de abelha; Modelagem molecular; Método semiempírico; ENGENHARIAS::ENGENHARIA MECANICA::ENGENHARIA TERMICA

The market for polymeric materials has been increasingly promising, especially due to the wide variety of applications and low cost. However, as demand grows, so does the demand for environmentally friendly products from renewable sources. The objective of this Dissertation was to use molecular modeling, through the AM1 semi-empirical method, for a better theoretical understanding and validation of the experiments carried out in the works of Bezerra et al. (2013 a and b), Saboya (2014), Campbell (2016) and Da Costa et al. (2017 a and b). In these investigations, natural rubber (NR) and styrene-butadiene copolymer (SBR) were processed as pure gums (without the presence of filler) using a conventional vulcanization system, where stearic acid was replaced by vegetables oils (peanut oil, coconut oil and linseed oil) and beeswax. The data showed that coconut oil, rich in lauric acid, had the best performance as an activator of the vulcanization system.