颗粒在液相中溶解-析出过程的蒙特卡罗模拟  

Monte carlo simulation for dissolution-precipitation process of particle in liquid phase

作　　者：鲍寅祥[1] 张晓泳[1] 周科朝[1] 

机构地区：[1]中南大学粉末冶金国家重点实验室,长沙410083

出　　处：《粉末冶金材料科学与工程》2012年第1期18-24,共7页Materials Science and Engineering of Powder Metallurgy

基　　金：国家重点基础研究发展规划(973计划)资助项目(2005CB623703);中南大学博士后科学基金资助项目(2009年)

摘　　要：利用蒙特卡罗方法,通过建立合理的模拟规则,对单个圆形颗粒在液相中被溶解并形成溶质、溶质扩散、以及溶质析出等过程进行模拟。模拟结果表明:颗粒溶解度随模拟时间延长而逐渐增加,液相中的溶质浓度相应趋于饱和;升高模拟温度会加快颗粒的溶解速率,使溶质在液相中达到饱和所需要的时间缩短,饱和浓度值相应增加;尺寸越小的颗粒表现出越高的溶解活性,通过对不同初始尺寸的颗粒在液相中达到溶解平衡过程的模拟,所得平衡尺寸及饱和浓度之间的关联性与Gibbs-Thomson关系较为吻合。上述模拟结果均与实际溶解情况较一致。The reasonable rules were set up when using the Monte Carlo simulation to simulate the dissolution of a single circle particle,and the formation,diffusion and precipitation of solute in the liquid phase.The simulation results shown the dissolution degree of particle increased and the concentration tend to saturation in liquid with the prolongation of simulation time.The raise of simulation temperature promotes the dissolution rate of particle,leading to the decreased time to saturate and the increased saturation concentration in liquid.The smaller particle presents a higher dissolving activity.Through simulating the full dissolution of particles with the different initial radius up to be in equilibrium,the as-resulted equilibrium size and saturation concentration have the Gibbs-Thomson relation.The simulation results are in accord with the real dissolution process.

关 键 词：蒙特卡罗方法 模拟 溶解-析出过程 颗粒 液相 

分 类 号：TG111[金属学及工艺—物理冶金] TP391.7[金属学及工艺—金属学]