阳离子对碱金属硝酸盐电解质中颗粒间范德华相互作用的影响
Effect of cations on van der Waals interactions between particles in aqueous alkali nitrate electrolytes
AI总结：
通过扩展Lifshitz理论和基于电子结构计算的介电响应模型，研究了碱金属硝酸盐溶液中阳离子对纳米颗粒Hamaker常数的影响，发现Na、K、Rb硝酸盐增加而Cs硝酸盐几乎不影响Hamaker常数。
摘要：
范德华相互作用已被广泛研究用于胶体力及其产生的涌现现象，如胶体稳定性、聚集和悬浮流变学，但电解质对这种相互作用的影响，特别是在中等和高电解质浓度下，仍不完全清楚。我们通过开发基于分子组分电子结构计算的碱金属硝酸盐溶液介电响应模型，将纯水中范德华相互作用的Lifshitz理论扩展到任意浓度的碱金属硝酸盐溶液。由于它们在催化、陶瓷和涂层技术中的重要性，我们计算了悬浮在碱金属硝酸盐溶液中的金红石、勃姆石和氧化铝纳米颗粒的Hamaker常数随盐浓度的变化。与普遍假设相反，增加钠（Na）、钾（K）和铷（Rb）硝酸盐溶液的浓度会导致Hamaker常数相对于纯水显著增加，而不是减少，而硝酸铯（CsNO3）对Hamaker常数几乎没有影响。我们结合先前发表的工作讨论了溶液摩尔体积、溶解离子的极化率和相互作用颗粒的光学性质的影响。我们的研究表明，在中等和高电解质浓度下，范德华相互作用对胶体稳定性具有不可忽略的作用，从而为与纳米颗粒相关的涌现现象提供了物理见解。
英文摘要：
The van der Waals interaction has been extensively studied for colloidal forces and resultant emergent phenomena such as colloidal stability, aggregation, and suspension rheology, but the effect of electrolytes on this interaction, especially at intermediate and high electrolyte concentrations, remains incompletely understood. We have extended the Lifshitz theory for van der Waals interactions in pure water to alkali nitrate solutions at arbitrary concentrations by developing a dielectric response model for alkali nitrate solutions that is based on electronic structure calculations of the molecular constituents. Due to their importance in catalysis, ceramics, and coating technologies, the Hamaker constants for rutile, boehmite, and alumina nanoparticles suspended in alkali nitrate solutions are calculated as a function of salt concentration. Contrary to prevailing assumptions, increasing the concentration of sodium (Na), potassium (K), and rubidium (Rb) nitrate solutions causes appreciable increases of the Hamaker constants relative to pure water instead of decreases, whereas cesium nitrate (CsNO3) has almost no effect on the Hamaker constant. We discussed the influence of the solution molar volume, the polarizability of the dissolved ions, and optical properties of the interacting particles in the context of previously published work. Our study indicates a non-vanishing role of van der Waals interactions on colloidal stability at intermediate and high electrolyte concentrations, leading to physical insights on emergent phenomena associated with nanoparticles.
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