Within catalyst inks, the agglomeration of carbon-supported Pt nanoparticles (Pt/C NPs) stands out as a primary destabilizing factor. This study simulates the agglomeration process of particles under varying ionic strengths (ISs), employing the Brownian motion of Pt/C NPs and inter-particle forces. The energy barriers (EBs) within particles govern particle interactions, subsequently translating into the adhesive efficiency of particle collisions (). By modulating the ISs in Ink-P (IS = 0.00182), Ink-01 (IS = 0.01), and Ink-001 (IS = 0.001), the Zeta potential and EBs are diminished, thereby increasing . Structural parameters of agglomerates during the agglomeration process, such as fractal dimension () and porosity, are computationally assessed using Matlab. The simulated for Ink-P, Ink-001, and Ink-01 are 1.82, 1.62, and 1.54, respectively, while the experimentally measured are 1.92–1.95, 1.67–1.7, and 1.56–1.59, confirming the effectiveness of the simulation method. High led to isotropic growth of agglomerates, resulting in higher . Increased IS causes compression of the electric double layer and higher , ultimately leading to rapid destabilization of the ink. This method not only enhances comprehension of nanoscale particle agglomeration, explaining variations in ink stability and agglomerate structures, but also broadens its applicability to diverse nanoparticle dispersion systems.

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催化剂墨水中碳载铂纳米颗粒的团聚行为：建模和实验研究

在催化剂墨水中，碳负载的 Pt 纳米颗粒 (Pt/C NP) 的团聚是主要的不稳定因素。本研究利用 Pt/C NP 的布朗运动和颗粒间力模拟不同离子强度 (IS) 下颗粒的团聚过程。粒子内的能量势垒 (EB) 控制粒子相互作用，随后转化为粒子碰撞的粘合效率 ()。通过调节 Ink-P (IS = 0.00182)、Ink-01 (IS = 0.01) 和 Ink-001 (IS = 0.001) 中的 IS，Zeta 电位和 EB 会减小，从而增加 。使用 Matlab 计算评估团聚过程中团聚体的结构参数，例如分形维数 () 和孔隙率。 Ink-P、Ink-001和Ink-01的模拟值分别为1.82、1.62和1.54，而实验测量值分别为1.92-1.95、1.67-1.7和1.56-1.59，证实了模拟方法的有效性。 。高导致附聚物的各向同性生长，从而导致更高的 。增加的 IS 会导致双电层压缩并导致更高的压缩，最终导致墨水快速不稳定。该方法不仅增强了对纳米级颗粒团聚的理解，解释了墨水稳定性和团聚结构的变化，而且拓宽了其对不同纳米颗粒分散系统的适用性。