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中南大学学报(自然科学版)

Journal of Central South University

第24卷    第5期    总第93期    1993年10月

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文章编号:(1993)05-607-5
化学沉淀过程中形成的胶粒团聚体结构的计算机模拟
葛荣德; 赵天从; 朱宣惠

(中南工业大学; 长沙; 410083;
2.天津大学;天津;300000
)

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。

 

关键字: 化学沉淀; 胶粒; 团聚; 计算机模拟; 氢氧化锆

COMPUTER SIMULATION ON THE STRUCTURE OF COLLOIDAL AGGREGATES FORMED DURING CHEMICAL PRECIPITATION
Ge Rongde; Zhao Tiancong

Central South University of Technology; Changsha; 410083; China Zhu Xuanhui Tianjin University

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.

 

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

中南大学学报(自然科学版)
  ISSN 1672-7207
CN 43-1426/N
ZDXZAC
中南大学学报(英文版)
  ISSN 2095-2899
CN 43-1516/TB
JCSTFT
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