论文标题
Wertheim的热力学扰动理论具有双键关联及其在胶体链混合物中的应用
Wertheim's thermodynamic perturbation theory with double-bond association and its application to colloid-linker mixtures
论文作者
论文摘要
我们扩展了Wertheim的热力动力扰动理论，以得出多组分混合物的关联自由能，为此，双键可以在任何两对分子的任意键位位点之间形成。这种概括在限制案例中减少了限制双重键至每个分子位点的先前理论。我们将新理论应用于胶体颗粒（“胶体”）和柔性链分子（“接头”）的混合混合物。接头有两个功能端组，每个组都可以键入胶体上的几个位点之一。由于它们的灵活性，很大一部分的接头可以“循环”，两端都粘合到同一胶体上的位点，而不是在不同的胶体上桥接位点。我们使用该理论表明，循环中接头的比例敏感地取决于接头端到端距离相对于胶体键位距离的距离，这表明了缓解环形组的策略，否则可能会阻碍接头介导的胶体组件。
We extend Wertheim's thermodynamic perturbation theory to derive the association free energy of a multicomponent mixture for which double bonds can form between any two pairs of the molecules' arbitrary number of bonding sites. This generalization reduces in limiting cases to prior theories that restrict double bonding to at most one pair of sites per molecule. We apply the new theory to an associating mixture of colloidal particles ("colloids") and flexible chain molecules ("linkers"). The linkers have two functional end groups, each of which may bond to one of several sites on the colloids. Due to their flexibility, a significant fraction of linkers can "loop" with both ends bonding to sites on the same colloid instead of bridging sites on different colloids. We use the theory to show that the fraction of linkers in loops depends sensitively on the linker end-to-end distance relative to the colloid bonding-site distance, which suggests strategies for mitigating the loop formation that may otherwise hinder linker-mediated colloidal assembly.
