AlSunaidi A, Lach-Hab M, Blaisten-Barojas E, González A E
School of Computational Sciences, George Mason University, Fairfax, Virginia 22030, USA.
Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics. 2000 Jun;61(6 Pt B):6781-8. doi: 10.1103/physreve.61.6781.
The structure and aggregation kinetics of diffusion-limited cluster-cluster three-dimensional monomeric aggregates and gels is investigated as a function of the molar fraction of two types of impurities. In one case the impurities are allowed to aggregate among themselves whereas in the other the impurities are mobile monomers that remain as such during the whole aggregation process. Computer simulations are performed on a simple cubic lattice for which the functionality of the aggregating particles is effectively 6. The first type of impurity shows a decrease in the fractal dimension when compared to that of a one component system at the same concentration. As a consequence of this decrease, the gelation concentration is lowered. At higher concentrations a gelling to nongelling transition was observed. In the nongelling regime the colloidal aggregates are kept apart by the impurity clusters, developing a local ordering. For the monomeric type of impurity, at large impurity molar fractions, a nonstructured nongelling phase appears at high enough concentration, in which the colloidal aggregates are kept apart by the sea of mobile impurities that inhibits the formation of a gel. Smaller molar fractions of mobile monomeric impurities strongly affect both the fractal dimension and the kinetics of the aggregating colloid.
研究了扩散受限的簇-簇三维单体聚集体和凝胶的结构及聚集动力学与两种杂质摩尔分数的函数关系。一种情况下,杂质之间允许相互聚集;而在另一种情况下,杂质是可移动的单体,在整个聚集过程中保持这种状态。在一个有效配位数为6的简单立方晶格上进行了计算机模拟。与相同浓度下单组分系统相比,第一种杂质的分形维数降低。由于这种降低,凝胶化浓度降低。在较高浓度下,观察到从凝胶化到非凝胶化的转变。在非凝胶化状态下,胶体聚集体被杂质簇隔开,形成局部有序结构。对于单体型杂质,在大的杂质摩尔分数下,当浓度足够高时会出现无结构的非凝胶化相,其中胶体聚集体被抑制凝胶形成的可移动杂质海洋隔开。较小摩尔分数的可移动单体杂质强烈影响聚集胶体的分形维数和动力学。