Analysis by Raman and infrared spectroscopy combined with theoretical studies on the identification of plasticizer in PVC films

被引：31

作者：

Ludwig, Valdemir ^{[1
]}

Da Costa Ludwig, Zelia M. ^{[1
]}

Rodrigues, Marcela M. ^{[1
]}

Anjos, Virgilio ^{[1
]}

Costa, Cassiano Batesttin ^{[1
]}

Sant'Anna das Dores, Diogo Rubio ^{[1
]}

da Silva, Victor Rocha ^{[1
]}

Soares, Felipe ^{[1
]}

机构：

[1] Univ Fed Juiz de Fora, Dept Fis, BR-36036330 Juiz De Fora, MG, Brazil

来源：

VIBRATIONAL SPECTROSCOPY | 2018年 / 98卷

关键词：

Poly (vinyl chloride); Raman; FT-IR; DFT; Food packaging; MICROLINE FOCUS SPECTROMETRY; POLY(VINYL CHLORIDE); POLYVINYL-CHLORIDE; BASIS-SETS; DEGRADATION; DENSITY; POLYVINYL-CHLORIDE); ADDITIVES;

D O I：

10.1016/j.vibspec.2018.08.004

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

Raman and Fourier Transform infrared spectroscopy were used to study the vibrational spectra in commercial polyvinyl chloride (PVC) flexible films. In order to have insights of the PVC and the plasticizer structures, density functional theory calculations were conducted via B3LYP hybrid functional. The infrared and Raman calculations took into account geometry optimization of the PVC film, the plasticizer DEHA and the convolution of both. The convoluted spectra were then compared with the experimental data. Finally, the thermal stability of the PVC films was checked through one-hour thermal treatment of the samples comprising temperatures ranges from 50 to 200 degrees C.

引用

页码：134 / 138

页数：5

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