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首页> 外文期刊>Macromolecular theory and simulations >Effect of chain stiffness on nanoparticle segregation in polymeranoparticle blends near a substrate
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Effect of chain stiffness on nanoparticle segregation in polymeranoparticle blends near a substrate

机译：链刚度对基质附近聚合物/纳米颗粒混合物中纳米颗粒偏析的影响

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Nanoparticles in a flexible polymer melt film often segregate to the substrate due to attractive depletion interactions between the nanoparticles and the substrate. Here, molecular dynamics simulations are performed to study the effect of chain stiffness on this segregation. The nanoparticles are modeled as spheres and the polymers as semi-flexible bead-spring chains. Both purely repulsive and attractive forces are considered, while assuming non-selective interactions among all species. The nanoparticles are found to be well-dispersed in the system having repulsive forces only and aggregate into clusters in the completely attractive system. For the repulsive system, adding chain stiffness substantially decreases the nanoparticles' segregation, and hence their concentration, at the substrate.
机译：柔性聚合物熔体膜中的纳米颗粒经常由于纳米颗粒与基底之间的有吸引力的耗尽相互作用而偏析到基底上。在这里，进行分子动力学模拟以研究链刚度对该偏析的影响。纳米颗粒被建模为球形，聚合物被建模为半柔性的珠弹簧链。在假设所有物种之间都存在非选择性相互作用的同时，还考虑了纯粹的排斥力和吸引力。发现纳米粒子在仅具有排斥力的系统中很好地分散并且在完全吸引人的系统中聚集成簇。对于排斥系统，增加链刚度显着降低了纳米颗粒的偏析，从而降低了其在基材上的浓度。

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