A Lagrangian method for reactive transport with solid/aqueous chemical phase interaction
A Lagrangian method for reactive transport with solid/aqueous chemical phase interaction
复制标题
固/水化学相相互作用反应输运的拉格朗日方法
DOI：
10.1016/j.jcpx.2019.100021
复制
发表时间：
2018
期刊：
影响因子：
--
通讯作者：
D. Benson
中科院分区：
文献类型：
--
作者：
Michael J. Schmidt;S. Pankavich;A. Navarre‐Sitchler;D. Benson
拉格朗日(粒子跟踪)反应输运模型的一个显著缺陷是它们不能正确地模拟固-液化学相之间的相互作用，如溶解和沉淀反应。这项工作通过在移动和不移动的颗粒组之间实施质量传递算法来解决这个问题，该算法允许正在运输的反应物的水物种与静止的固体物种相互作用。这种传质算法可以求解任意小扩散水平的扩散方程，因此不会引入任何虚假混合。该算法可以与随机游走相结合来模拟反应性运输系统中所需的总扩散水平。
A significant drawback of Lagrangian (particle-tracking) reactive transport models has been their inability to properly simulate interactions between solid and liquid chemical phases, such as dissolution and precipitation reactions. This work addresses that problem by implementing a mass-transfer algorithm between mobile and immobile sets of particles that allows aqueous species of reactant that are undergoing transport to interact with stationary solid species. This mass-transfer algorithm is demonstrated to solve the diffusion equation for an arbitrarily small level of diffusion and thus does not introduce any spurious mixing. The algorithm can be combined with random walks to simulate the desired total level of diffusion in a reactive transport system.