无热Polymer /纳米粒子共混体系的表面诱导一级相变
Surface-induced First Order Transition in Athermal Polymer/Nanoparticle Blends
摘要：
我们研究了无热聚合物/纳米粒子共混物在硬基底附近的相行为。我们将Tripathi和Chapman的密度泛函理论应用于这些共混物。我们发现一个一阶相变的纳米粒子驱逐聚合物从表面形成单层。转变密度取决于聚合物长度和系统堆积密度。这种效应是由于物种的堆积熵和聚合物的构型熵。系统的简单性使我们能够理解实验中观察到的所谓的“熵推”。
英文摘要：
We investigate the phase behavior of athermal polymer/nanoparticle blends near a hard substrate. We apply the density functional theory of Tripathi and Chapman to these blends. We find a first order phase transition where the nanoparticles expel the polymer from the surface to form a monolayer. The transition density depends on the polymer length and the system bulk density. The effect is due to the packing entropy of the species and configurational entropy of the polymer. The simplicity of the system allows us to understand the so-called ``entropic-push'' observed in experiments.
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