Cellular automaton model of precipitation/dissolution coupled with solute transport
Cellular automaton model of precipitation/dissolution coupled with solute transport
复制标题
沉淀/溶解与溶质迁移耦合的元胞自动机模型
DOI：
10.1007/bf02179974
复制
发表时间：
1995
影响因子：
1.6
通讯作者：
T. Karapiperis
中科院分区：
文献类型：
--
作者：
T. Karapiperis
沉淀/溶解反应与溶质输运耦合建模为一个细胞自动机，其中溶质分子执行一个规则的晶格上的随机行走，并根据当地的概率规则的反应。固定的固体颗粒以一定的概率溶解，并且如果固体已经存在或溶液饱和，则溶质颗粒有可能沉淀。在我们的模拟溶解的固体块内均匀流动的水，我们得到的固体沉淀下游从原来的固体边缘，在标准的反应输运方程。所观察到的效果是溶质密度波动的结果，当我们在一个较大的合奏平均时会减小。固体的额外沉淀伴随着相对小的溶质浓度的显著降低。该模型适用于研究反应阈值存在下的内在波动的作用，并可用于研究与水泥碳酸化相关的孔隙度变化。
Precipitation/dissolution reactions coupled with solute transport are modeled as a cellular automaton in which solute molecules perform a random walk on a regular lattice and react according to a local probabilistic rule. Stationary solid particles dissolve with a certain probability and, provided solid is already present or the solution is saturated, solute particles have a probability to precipitate. In our simulation of the dissolution of a solid block inside uniformly flowing water we obtain solid precipitation downstream from the original solid edge, in contrast to the standard reaction-transport equations. The observed effect is the result of fluctuations in solute density and diminishes when we average over a larger ensemble. The additional precipitation of solid is accompanied by a substantial reduction in the relatively small solute concentration. The model is appropriate for the study of the role of intrinsic fluctuations in the presence of reaction thresholds and can be employed to investigate porosity changes associated with the carbonation of cement.