Physikalische Chemie, TU Dresden, Bergstraße 66b, 01069 Dresden, Germany.
Phys Chem Chem Phys. 2019 Mar 6;21(10):5723-5729. doi: 10.1039/c9cp00549h.
We simulated irreversible aggregation of non-interacting particles and of particles interacting via repulsive and attractive potentials explicitly implementing the rotational diffusion of aggregating clusters. Our study confirms that the attraction between particles influences neither the aggregation mechanism nor the structure of the aggregates, which are identical to those of non-interacting particles. In contrast, repulsive particles form more compact aggregates and their fractal dimension and aggregation times increase with the decrease of the temperature. A comparison of the fractal dimensions obtained for non-rotating clusters of non-interacting particles and for rotating clusters of repulsive particles provides an explanation for the conformity of the respective values obtained earlier in the well established model of diffusion-limited cluster aggregation neglecting rotational diffusion and in experiments on colloidal particles.
我们模拟了非相互作用粒子和通过排斥和吸引力相互作用的粒子的不可逆聚集，明确地实现了聚集簇的旋转扩散。我们的研究证实，粒子之间的吸引力既不影响聚集机制，也不影响聚集物的结构，聚集物与非相互作用粒子的结构相同。相比之下，排斥性粒子形成更紧凑的聚集物，其分形维数和聚集时间随温度的降低而增加。对于非相互作用粒子的非旋转簇和排斥粒子的旋转簇的分形维数的比较，为在忽略旋转扩散的扩散限制簇聚集的成熟模型和胶体粒子的实验中获得的相应值的一致性提供了一种解释。
