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https://hdl.handle.net/1822/5494
Título: | What can we learn from vibrational analysis calculations of defective polymer chains? |
Autor(es): | Correia, Helena M. G. Ramos, Marta M. D. |
Palavras-chave: | PVDF Atomistic modeling Monomer inversion Infrared spectroscopy atomistic modelling |
Data: | Ago-2006 |
Editora: | Taylor and Francis |
Revista: | Ferroelectrics |
Citação: | "Ferroelectrics". ISSN 0015-0193. 338 (2006) 185-191. |
Resumo(s): | The possibility of using infrared (IR) spectroscopy to determine the concentration of inversion monomer defects in polymers depends on the knowledge of the relationship between the spectral properties and the polymer microstructure. This can easily be achieved by performing vibrational analysis. In order to investigate the changes in IR spectra of poly(vinylidene fluoride) resulting from the presence of monomeric units in “head-to-head” and “tail-to-tail” positions, we calculated the frequencies and intensities of IR-active vibrations for individual molecules in alpha and beta form with a defect concentration up to 15% and compared them with the ones obtained for a defect-free molecule. |
Tipo: | Artigo em ata de conferência |
URI: | https://hdl.handle.net/1822/5494 |
DOI: | 10.1080/00150190600737529 |
ISSN: | 0015-0193 1563-5112 |
Versão da editora: | http://taylorandfrancis.metapress.com/ media/2724fr9erm7ywp5fmma1/contributions/ k/h/5/6/kh563g26301u2622.pdf |
Arbitragem científica: | yes |
Acesso: | Acesso aberto |
Aparece nas coleções: | CDF - FCT - Artigos/Papers (with refereeing) |
Ficheiros deste registo:
Ficheiro | Descrição | Tamanho | Formato | |
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repos-A49.pdf | F338b | 142,75 kB | Adobe PDF | Ver/Abrir |