单组分和双组分溶剂中带电杆周围的离子分布：优先溶剂化和一级电离相变
Ion distribution around a charged rod in one and two component solvents: Preferential solvation and first order ionization phase transition
摘要：
在单组分和双组分溶剂中，我们将电离度$α$作为依赖于其局部环境的退火变量，计算了带电棒周围的电荷分布。在单组分情况下，在不含盐和含盐的各种条件下测定$α$。在两个组件的情况下，我们考虑到优先溶剂化的抗衡离子和电离的单体和短距离之间的相互作用杆和溶剂无盐。然后它遵循依赖于成分的质量作用定律。介观的组成和反离子的变化产生周围的chraged棒，这敏感地依赖于各种参数的分子间相互作用。此外，我们预测了一个一级相变弱到强的解离强优先溶剂化。它可以在聚合物链的膨胀状态下发生。该转变线从溶剂共存曲线上的一个点开始，并在温度和溶剂组成平面中的临界点结束。在溶剂临界点附近，带电棒周围的组分变化是长程的。
英文摘要：
In one and two component solvents, we calculate the counterion distribution around a charged rod treating the degree of ionization $α$ as an annealed variable dependent on its local environment. In the one component case, $α$ is determined under various conditions without and with salt. In the two component case, we take into account the preferential solvation of the counterions and the ionized monomers and the short-range interaction between the rod and the solvent without salt. It then follows a composition-dependent mass action law. Mesoscopic variations of the composition and the counterions are produced around a chraged rod, which sensitively depend on various parameters of the molecular interactions. Furthermore, we predict a first order phase transition of weak-to-strong dissociation for strong preferential solvation. It can occur in expanded states of a polymer chain. This transition line starts from a point on the solvent coexistence curve and ends at a critical point in the plane of the temperature and the solvent composition. The composition change around a charged rod is long-ranged near the solvent critical point.
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