科研之友
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摘要
Polyamides are semicrystalline polymers useful in a wide range of applications in the plastics industry. Some applications require higher flexibility and workability of the polyamides, therefore, plasticizers are added to ease compounding and processing procedures and produce the desired product properties. The goal of this study was to estimate plasticizers efficiency in plasticizing Nylon 66/6 copolymer (molar ratio 80/20, respectively) using computational tools and to compare the calculated estimations to experimental results. Four plasticizers were studied: glycerin mono stearate, benzene sulfonamide, methyl 4-hydroxybenzoate (M4HB), and diethylhexyl phthalate. Plasticizers efficiency was determined by calculating cohesive energy density, solubility parameters, free volume and interaction intensities of pristine nylon, and the nylon-plasticizer blends. It was found that the efficiency of the plasticizers increases with the degree of interaction intensity between the plasticizer and polymer chains and that M4HB molecules cause the largest changes in free volume. This finding correlates with the experimental results, based on reduction of polymer glass transition temperature (T (g)). The highest calculated plasticization efficiency was obtained for M4HB, for which the decrease in T (g) was the most significant.
- 出版日期2012-4
