论文标题
聚合物刷理论,用于定量预测干燥状态和湿状态之间的最大高度变化
A polymer brush theory for quantitative prediction of maximum height change between dry and wet states
论文作者
论文摘要
聚合物刷几乎可以在任何固体表面上生长,并且通过设计表现出各种特性和功能,因此它们已被广泛用于工程,能源和药物的许多新兴应用中。特别是,某些应用(例如致动,分子释放和摩擦开关)需要聚合物刷在干燥和湿状态之间改变高度,并且最大化这种高度变化对于这些应用的最佳性能至关重要。虽然长期以来一直提出了缩放定律来定性地确定刷子高度,但可以定量预测刷子高度和最大化刷子高度变化条件的理论仍然缺乏,但对于聚合物刷的实用设计而言是有价值的。在这里,我们采用热力学方法来制定聚合物刷理论,以计算移植面积,聚合度(DP)和溶剂质量的各种条件下的刷高度。我们的模型由两部分组成 - 自由连接的链模型,以描述刷子的弹性和Flory-Rehner模型,以描述刷子和溶剂的混合。在干燥状态和湿状态下计算出的刷子高度与文献的实验数据一致。计算出的刷子高度可进一步用于确定最大刷子高度变化的条件。我们的理论可以指导聚合物刷的设计,以在各种应用中进行最佳功能性能,并且可以与其他模型相结合,以描述聚合物刷的更复杂的行为。
Polymer brushes can grow on almost any solid surface, and by design, exhibit diverse properties and functionalities, thus they have been widely used in many emerging applications in engineering, energy, and medicine. In particular, some applications such as actuation, molecule release, and friction switch require the polymer brushes to change their heights between dry and wet states, and maximizing such height change is critical for the optimal performance of these applications. While scaling laws have long been proposed to qualitatively determine brush heights, a theory that can quantitatively predict brush heights and conditions for maximizing brush height change is still lacking yet is valuable for the practical design of polymer brushes. Here, we take a thermodynamic approach to formulate a polymer brush theory to calculate brush heights at various conditions of graft area, degree of polymerization (DP), and solvent qualities. Our model consists of two parts-the freely-jointed chain model to describe the elasticity of brushes and the Flory-Rehner model to describe the mixing of brushes and solvents. The calculated brush heights at both dry and wet states fairly agree with the experimental data from the literature. The calculated brush heights are further used to determine the conditions for the maximum brush height change. Our theory can guide the design of polymer brushes for optimal functional performance in various applications and also can couple with other models to describe more complex behaviors of polymer brushes.