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J Contam Hydrol. 2010 Mar 1;112(1-4):118-29. doi: 10.1016/j.jconhyd.2009.11.005. Epub 2009 Dec 29.
Reactive transport is a highly non-linear problem requiring the most efficient algorithms to rapidly reach an accurate solution. The non-linearities are increased and the resolution is even more demanding and CPU-intensive when considering feedback of dissolution or precipitation reactions on hydrodynamic flow and transport, commonly referred to as the variable porosity case. This is particularly true near clogging, which leads to very stiff systems and therefore small time-steps. The operator-splitting approach often cited is a widely use method to solve these problems: it consists in solving sequentially the transport then the chemistry part of the problem. Operator-splitting appears to be an accurate approach, provided that the solution is iteratively improved at each time-step. The paper details analytical solutions and test-cases for this class of problems. They demonstrate that iterative improvement is then compulsory. They also helped develop an improved estimator/corrector method which allows to reach convergence faster and to reduce stiffness. The efficiency improvement is significant as illustrated by an example of carbonation of a cement paste, a well-known problem that leads to complete clogging of the interface layer.
反应传输是一个高度非线性问题,需要最有效的算法来快速得到准确的解。当考虑溶解或沉淀反应对水动力流和传输的反馈,通常称为可变孔隙率情况时,非线性增加,分辨率要求更高,CPU 密集度更高。在接近堵塞的情况下尤其如此,这会导致非常僵硬的系统,因此时间步长很小。常引用的算子分裂方法是解决这些问题的广泛使用方法:它包括顺序求解传输问题和化学部分问题。算子分裂似乎是一种准确的方法,只要在每个时间步迭代改进解。本文详细介绍了此类问题的解析解和测试案例。它们表明迭代改进是必需的。它们还帮助开发了一种改进的估计器/校正器方法,该方法可以更快地达到收敛并减少刚度。通过水泥浆碳化的示例说明了效率的提高,这是一个众所周知的问题,会导致界面层完全堵塞。