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首页> 外文期刊>The Journal of Chemical Physics >Debye-Hückel theory for mixtures of rigid rodlike ions and salt
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Debye-Hückel theory for mixtures of rigid rodlike ions and salt

机译：刚性棒状离子和盐的混合物的德拜-休克尔理论

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摘要

Like-charged surfaces are able to attract each other if they are embedded in an electrolyte solution of multivalent rodlike ions, even if the rods are long. To reproduce this ability the Poisson-Boltzmann model has recently been extended so as to account for the rodlike structure of the mobile ions. Our model properly accounts for intraionic correlations but still neglects correlations between different rodlike ions. For sufficiently long rods, the model shows excellent agreement with Monte Carlo simulations and exhibits two minima- a depletion and a bridging minimum- in the interaction free energy. In the present work, we generalize the Poisson-Boltzmann model to systems with polydisperse rod lengths and arbitrary charge distributions along the rods, including the presence of salt. On the level of the linearized Debye-Hückel model we derive a general criterion for whether an electrolyte with given distribution of rodlike ions is able to mediate attraction between like-charged surfaces. We numerically analyze two special cases, namely the influence of salt on symmetric and asymmetric mixtures of monodisperse rodlike ions. The symmetric mixture is characterized by the presence of both negatively and positively charged (but otherwise identical) rodlike ions. For the asymmetric mixture, the system contains rodlike ions of only one type. We demonstrate that the addition of salt retains the depletion minimum but tends to eliminate the bridging minimum.
机译：如果带电荷的表面嵌入多价棒状离子的电解质溶液中，即使它们很长，它们也能够相互吸引。为了重现此能力，最近扩展了Poisson-Boltzmann模型，以说明移动离子的棒状结构。我们的模型适当考虑了离子内相关性，但仍然忽略了不同棒状离子之间的相关性。对于足够长的棒，该模型与蒙特卡洛模拟显示出极好的一致性，并且在相互作用自由能方面表现出两个最小值-耗尽和桥接最小值。在当前的工作中，我们将Poisson-Boltzmann模型推广到具有多分散杆长度和沿杆的任意电荷分布（包括盐的存在）的系统。在线性化的Debye-Hückel模型的水平上，我们得出了一种通用的标准，即具有给定棒状离子分布的电解质是否能够介导带电表面之间的吸引力。我们数值分析了两种特殊情况，即盐对单分散棒状离子对称和不对称混合物的影响。对称混合物的特征是存在带负电和带正电（但其他方面相同）的棒状离子。对于不对称混合物，系统仅包含一种类型的棒状离子。我们证明，添加盐会保留最小消耗量，但往往会消除最小桥接量。

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