高等学校化学学报

高等学校化学学报 ›› 2000, Vol. 21 ›› Issue (6): 922.

• 论文 • 上一篇    下一篇

布朗扩散系数对胶体分形粒子簇扩散控制聚集动力学影响的Monte Carlo模拟

王惠, 王贵昌, 蔡遵生, 潘荫明, 赵学庄   

  1. 南开大学化学系, 天津 300071
  • 收稿日期:1999-05-18 出版日期:2000-06-24 发布日期:2000-06-24
  • 通讯作者: 赵学庄(1933年出生),男,教授,博士生导师,从事理论化学研究.E-mail:zhaoxuezhuang@263.net E-mail:zhaoxuezhuang@263.net
  • 基金资助:

    国家自然科学基金(批准号:29573109)

Monte Carlo Simulation to the Effect of Cluster Brownian Diffusion Coefficient on the Colloidal Fractal Cluster Aggregation Kinetics

WANG Hui, WANG Gui-Chang, CAI Zun-Sheng, PAN Yin-Ming, ZHAO Xue-Zhuang   

  1. Department of Chemistry, Nankai University, Tianjin 300071, China
  • Received:1999-05-18 Online:2000-06-24 Published:2000-06-24

PDF (PC)

被引次数

6

摘要： 使用表征粒子簇结构的几何形状因子,通过对扩散控制聚集过程的模拟,从微观或介观层次研究了粒子簇结构对粒子簇增长速率和速率常数的影响规律,并与实验结果进行了对比分析.

关键词: 布朗扩散系数, 扩散控制聚集, 聚集动力学, 几何形状因子, MonteCarlo方法

Abstract: The aggregation rate constant embodies the microscopic details of the collision process among clusters and the kinetic behavior directly depend on the size and configuration of the reacting clusters. Using Monte Carlo method for different geometric morphologies the diffusion limited aggregation mechanism in three dimensions was randomly simulated. The effect of cluster Brownian diffusion coefficient on the aggregation rate constant for dimers formation, the aggregation rate of the system and the mean cluster size was studied on microscopic and mesoscopic levels.

Key words: Cluster Brownian diffusion coefficient, Diffusion-limited aggregation, Aggregation kinetics, Geometric morphology factor, Monte Carlo method

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