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Robust simulation of mineral precipitation–dissolution problems with variable mineral surface area
Journal of Engineering Mathematics ( IF 1.3 ) Pub Date : 2021-06-17 , DOI: 10.1007/s10665-021-10132-4
Serge Kräutle , Jan Hodai , Peter Knabner

We consider a macroscale model of transport and reaction of chemical species in a porous medium with a special focus on mineral precipitation–dissolution processes. In the literature, it is frequently proposed that the reaction rate should depend on the reactive mineral surface area, and so on the amount of mineral. We point out that a frequently used model is ill posed in the sense that it admits non-unique solutions. We investigate what consequences this non-uniqueness has on the numerical solution of the model. The main novelty in this article is our proposal of a certain substitution which removes the ill-posedness from the system and which leads to better numerical results than some “ad hoc methods.” We think that the proposed substitution is a rather elegant way to get rid of the non-uniqueness and the numerical difficulties and is much less technical than other ideas. As a proof of concept, we present some numerical tests and simulations for the new model.



中文翻译:

具有可变矿物表面积的矿物沉淀-溶解问题的稳健模拟

我们考虑了多孔介质中化学物质传输和反应的宏观模型,特别关注矿物沉淀 - 溶解过程。在文献中,经常提出反应速率应取决于反应性矿物表面积等矿物量。我们指出,一个经常使用的模型是不适定的,因为它承认非唯一解决方案。我们研究了这种非唯一性对模型的数值解有什么影响。本文的主要新颖之处在于我们提出了某种替代方案,该替代方案从系统中消除了不适定性,并导致比某些“临时方法”更好的数值结果。“我们认为,提议的替代是摆脱非唯一性和数值困难的一种相当优雅的方式,并且比其他想法技术性低得多。作为概念证明,我们对新模型进行了一些数值测试和模拟。

更新日期:2021-06-18
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