化学沉淀过程中形成的胶粒团聚体结构的计算机模拟

来源期刊：中南大学学报(自然科学版)1993年第5期

论文作者：葛荣德 赵天从 朱宣惠

文章页码：607 - 611

关键词：化学沉淀; 胶粒; 团聚; 计算机模拟; 氢氧化锆

Key words：chemical precipitation; colloid; aggregation; computer simulation; zirconium hydroxide

摘    要：以正滴淀和反滴淀两种沉淀方式制备氢氧化锆凝胶,对其凝胶团聚状态的扫描电镜观察发现,在正滴淀方式下,胶粒主要以P-C(Particle-Cluster)团聚方式团聚,在反滴淀方式下,胶粒主要以C-C(Cluster-Cluster)团聚方式团聚。运用MonteCarlo法对P-C和C-C两种团聚方式下形成的胶粒团聚结构进行了计算机模拟,结果表明,以P-C团聚方式形成的胶粒团聚体结构致密,以C-C团聚方式形成的胶粒团聚体结构较松散,在沉淀过程中加入具有空间位阻作用的粒子可使形成的胶粒团聚体结构更松散。

Abstract: Using ZrOCl₂·8H₂O as raw material and ammonia water as precipitant and pH regulator,the zirconium hydroxide gels are prepared by the methods of direct strike and reverse strike.The observation by electron microscope of the structure of the gels shows that the colloidal particles are aggregated mainly in the form of P-C(Particle-Cluster)aggregation in the case of direct strike and C-C(Cluster-Cluster)aggregation in the case of reverse strike.Based on a previous ballistic aggregation model which is used to simulate P-C aggregation,a new ballistic model which can be used to simulate C-C aggregation is developed.The results of the computer simulation show that the structure of the aggregates simulated by the P-C aggregation model is more compact than that simulated by the C-C aggregation model.It is also shown that the more open structure of the aggregats simulated either by the P-C aggregation model or by the C-C aggregation model can be obtained by adding some particles with steric effect into the colloidal system.