Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
Ion Correlations Decrease Particle Aggregation Rate by Increasing Hydration Forces at Interfaces
ACS Nano ( IF 15.8 ) Pub Date : 2024-09-12 , DOI: 10.1021/acsnano.4c05563 Pravalika Butreddy 1 , Jaeyoung Heo 1 , Nikhil Rampal 2 , Tingting Liu 3 , Lili Liu 1 , William Smith 4 , Xin Zhang 1 , Micah P Prange 1 , Benjamin A Legg 1 , Gregory K Schenter 1 , James J De Yoreo 1, 5 , Jaehun Chun 1, 6 , Andrew G Stack 3 , Elias Nakouzi 1
ACS Nano ( IF 15.8 ) Pub Date : 2024-09-12 , DOI: 10.1021/acsnano.4c05563 Pravalika Butreddy 1 , Jaeyoung Heo 1 , Nikhil Rampal 2 , Tingting Liu 3 , Lili Liu 1 , William Smith 4 , Xin Zhang 1 , Micah P Prange 1 , Benjamin A Legg 1 , Gregory K Schenter 1 , James J De Yoreo 1, 5 , Jaehun Chun 1, 6 , Andrew G Stack 3 , Elias Nakouzi 1
Affiliation
|
The connection between solution structure, particle forces, and emergent phenomena at solid–liquid interfaces remains ambiguous. In this case study on boehmite aggregation, we established a connection between interfacial solution structure, emerging hydration forces between two approaching particles, and the resulting structure and kinetics of particle aggregation. In contrast to expectations from continuum-based theories, we observed a nonmonotonic dependence of the aggregation rate on the concentration of sodium chloride, nitrate, or nitrite, decreasing by 15-fold in 4 molal compared to 1 molal solutions. These results are accompanied by an increase in repulsive hydration forces and interfacial oscillatory features from 0.27–0.31 nm in 0.01 molal to 0.38–0.52 nm in 2 molal. Moreover, molecular dynamics (MD) simulations indicated that these changes correspond to enhanced ion correlations near the interface and produced loosely bound aggregates that retain electrolyte between the particles. We anticipate that these results will enable the prediction of particle aggregation, attachment, and assembly, with broad relevance to interfacial phenomena.
中文翻译：
离子相关性通过增加界面处的水合力来降低颗粒聚集率
溶液结构、粒子力和固液界面的涌现现象之间的联系仍然不明确。在这个关于勃姆石聚集的案例研究中，我们建立了界面溶液结构、两个接近颗粒之间出现的水合力以及由此产生的颗粒聚集结构和动力学之间的联系。与基于连续体的理论的预期相反，我们观察到聚集速率对氯化钠、硝酸盐或亚硝酸盐浓度的非单调依赖性，与 1 摩尔溶液相比，4 摩尔溶液中聚集率降低了 15 倍。这些结果伴随着水合排斥力和界面振荡特征的增加，从 0.01 摩尔浓度的 0.27–0.31 nm 增加到 2 摩尔浓度的 0.38–0.52 nm。此外，分子动力学（MD）模拟表明，这些变化与界面附近离子相关性的增强相对应，并产生松散结合的聚集体，将电解质保留在颗粒之间。我们预计这些结果将能够预测粒子聚集、附着和组装，与界面现象具有广泛的相关性。
更新日期：2024-09-12
中文翻译：
离子相关性通过增加界面处的水合力来降低颗粒聚集率
溶液结构、粒子力和固液界面的涌现现象之间的联系仍然不明确。在这个关于勃姆石聚集的案例研究中，我们建立了界面溶液结构、两个接近颗粒之间出现的水合力以及由此产生的颗粒聚集结构和动力学之间的联系。与基于连续体的理论的预期相反，我们观察到聚集速率对氯化钠、硝酸盐或亚硝酸盐浓度的非单调依赖性，与 1 摩尔溶液相比，4 摩尔溶液中聚集率降低了 15 倍。这些结果伴随着水合排斥力和界面振荡特征的增加，从 0.01 摩尔浓度的 0.27–0.31 nm 增加到 2 摩尔浓度的 0.38–0.52 nm。此外，分子动力学（MD）模拟表明，这些变化与界面附近离子相关性的增强相对应，并产生松散结合的聚集体，将电解质保留在颗粒之间。我们预计这些结果将能够预测粒子聚集、附着和组装，与界面现象具有广泛的相关性。
京公网安备 11010802027423号