Chen Daming, Arancibia-Miranda Nicolas, Escudey Mauricio, Fu Jiao, Lu Qin, Amon Cristina H, Galatro Daniela, Guzmán Amador M
Facultad de Ingeniería, Departamento de Ingeniería Mecánica, Universidad de Santiago de Chile, Av. B. O'Higgins 3363, 9170020, Santiago, Chile.
Center for the Development of Nanoscience and Nanotechnology, CEDENNA, 9170124 Santiago, Chile.
Heliyon. 2023 Oct 11;9(10):e20888. doi: 10.1016/j.heliyon.2023.e20888. eCollection 2023 Oct.
In this work, a numerical method is proposed to predict the electrokinetic phenomena and combined with an experimental study of the surface charge density () and zeta potential ( behavior is investigated for borosilicate immersed in KCl and NaCl electrolytes, and for imogolite immersed in KCl, CaCl, and MgCl electrolytes. Simulations and experiments of the electrokinetic flows with electrolyte solutions were performed to accurately determine the electric double layer (EDL), , and at various electrolyte concentrations and pH. The zeta potential was experimentally determined and numerically predicted by solving the coupled governing equations of mass, species, momentum, and electrical field iteratively. Our numerical prediction shows that for borosilicate develops strong nonlinear behavior with the ion concentration following a power-law. Likewise, the obeys a nonlinear behavior, decreasing as the concentration increases. Moreover, for imogolite, both and the behave nonlinearly with the pH. The EDL for borosilicate and imogolite becomes thinner as the electrolyte concentration and pH increase; this behavior is caused by increased , resulting in the higher attraction of the free charges. The reported nonlinear behavior describes more accurately the interaction of the nanoparticle surface charge with the electrolytes and its effect on the electrolyte transport properties.
在这项工作中,提出了一种数值方法来预测电动现象,并结合对表面电荷密度()和zeta电位()的实验研究,研究了硼硅酸盐浸入KCl和NaCl电解质中以及伊莫石浸入KCl、CaCl和MgCl电解质中的行为。进行了电解质溶液电动流动的模拟和实验,以准确确定不同电解质浓度和pH值下的双电层(EDL)、表面电荷密度和zeta电位。通过迭代求解质量、物种、动量和电场的耦合控制方程,实验测定并数值预测了zeta电位。我们的数值预测表明,硼硅酸盐的表面电荷密度随离子浓度呈现幂律关系的强烈非线性行为。同样,zeta电位也呈现非线性行为,随着浓度增加而降低。此外,对于伊莫石,表面电荷密度和zeta电位均随pH呈现非线性变化。随着电解质浓度和pH值的增加,硼硅酸盐和伊莫石的双电层变薄;这种行为是由表面电荷密度增加引起的,导致自由电荷之间的吸引力增强。所报道的非线性行为更准确地描述了纳米颗粒表面电荷与电解质之间的相互作用及其对电解质传输性质的影响。