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Property enhancement and DFT study of wood polymer composites using rosin derivatives as co-monomers

机译:用松香衍生物作为共单体的木聚合物复合材料的性能增强和DFT研究

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We report herein the preparation of wood polymer composites with modified soybean oil as the polymer matrix and softwood as the reinforcement agent. This study concentrates on the possibility to replace styrene with rosin-based derivatives as the rigid monomer, in order to improve the performance of the final composite. For comparison, styrene was also used to co-polymerize with the modified soybean oil. The chemical structures of the synthesized rosin derivatives were confirmed by Nuclear Magnetic Resonance (NMR) and Fourier Transform Infrared (FTIR) spectroscopy. The mechanical and thermal properties showed significant improvement after co-polymerization with rosin derivatives. The probable interaction among the polymer matrix, rosin derivative and wood flour was established by FTIR analysis, also supported by Density Functional Theory (DFT) calculations. The surface morphology, water uptake capacity, volumetric swelling and flame retarding properties of the composites were investigated. The results demonstrate that rosin acid derivatives possess great potential as co-monomers to replace petroleum-based rigid compounds for the preparation of soybean oil based wood polymer composites.
机译:我们在本文中报告了用改性大豆油作为聚合物基质和软木作为增强剂的制备。该研究浓缩富含苯乙烯与松香基衍生物作为刚性单体的可能性,以改善最终复合材料的性能。为了比较,苯乙烯还用于与改性大豆油共聚。通过核磁共振(NMR)和傅里叶变换红外(FTIR)光谱证实了合成的松香衍生物的化学结构。机械和热性质在用松香衍生物共聚后显着改善。通过FTIR分析建立了聚合物基质,松香衍生物和木粉中的可能相互作用,也由密度泛函理论(DFT)计算支持。研究了复合材料的表面形态,水吸收能力,体积溶胀和阻燃性能。结果表明,松香酸衍生物具有巨大的潜在作为共聚单体,以替代石油基刚性化合物,用于制备大豆油基木聚合物复合材料。

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