期刊
JOURNAL OF FLUORINE CHEMISTRY
卷 251, 期 -, 页码 -出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.jfluchem.2021.109885
关键词
gamma-irradiation; polyvinylidene fluoride; EPR; correlated G3(MP2) molecular orbital theory; predicted decomposition thermodynamics; acute toxicity
资金
- Institute of Problems of Chemical Physics, Russian Academy of Sciences [AAAA-A19-119041090087-4]
- U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division
- Heavy Element Chemistry Program, at The University of Alabama (DAD) [DE-SC0018921]
- Robert Ramsay Fund at The University of Alabama
- U.S. Department of Energy (DOE) [DE-SC0018921] Funding Source: U.S. Department of Energy (DOE)
Polyvinylidene fluoride (PVDF) forms various radicals during irradiation, with a low amount of HF in the thermal degradation products, indicating minimal impact on the main polymer chain. Acute toxicity study shows that γ-irradiated PVDF is not toxic to mice.
Polyvinylidene fluoride (PVDF) is an industrial polymer with many applications. The EPR spectrum of polyvinylidene fluoride (PVDF) irradiated by gamma-rays at low temperature (-196 degrees C) provides evidence for the presence of radicals formed by loss of a fluorine atom from PVDF, and polyenyl radicals. Polyenyl radicals dominate in the polymer irradiated at room temperature. Peroxide radicals formed as a result of oxidation of primary free radicals by atmospheric oxygen are observed in the EPR spectrum of a polymer irradiated in air, or when air is introduced to a polymer irradiated in a vacuum. Carbonization and oxidation of gamma-irradiated PVDF were observed in the XPS spectrum. A model for polymer degradation based on correlated G3(MP2) molecular orbital theory electronic structure calculations is described. The presence of HF in the products and a low yield of products with the composition CxFyHz indicate the absence of noticeable thermal destruction of the main polymer chain upon heating to 220 degrees C of both the initial and gamma-irradiated PVDF. Although any HF released during the PVDF dehydrofluorination would be toxic, a study of the acute toxicity of gamma-irradiated PVDF showed that the polymer does not exhibit toxicity after a single intragastric route of administration to mice.
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