Kräutle S (2011)
Publication Status: Published
Publication Type: Journal article, Original article
Publication year: 2011
Publisher: Elsevier
Book Volume: 34
Pages Range: 137-151
Journal Issue: 1
URI: http://www.sciencedirect.com/science/article/pii/S0309170810001934
DOI: 10.1016/j.advwatres.2010.10.004
In this article a method is proposed for the efficient simulation of reactive systems or reactive transport problems including (equilibrium) mineral precipitation-dissolution. The difficulty lies in the fact that for larger systems it is usually a priorily not known for which mineral the fluid is saturated and for which it is undersaturated. Currently wide-spread algorithms use some trial-and-error strategy requiring repeated computations, or an approximation of equilibrium precipitation-dissolution by a kinetic description. In this article we propose to formulate the problem as a so-called complementarity problem (CP) and to solve it with the semismooth Newton method, a solution strategy well known in the field of optimization theory. The CP formulation of the mineral reactions is then combined with a reformulation for the full multicomponent reactive transport problem which leads to a reduction of the number of unknowns. The reactive transport problem is tackled in the sense of a one step (global implicit) method. © 2010 Elsevier Ltd.
APA:
Kräutle, S. (2011). The semismooth Newton method for multicomponent reactive transport with minerals. Advances in Water Resources, 34(1), 137-151. https://dx.doi.org/10.1016/j.advwatres.2010.10.004
MLA:
Kräutle, Serge. "The semismooth Newton method for multicomponent reactive transport with minerals." Advances in Water Resources 34.1 (2011): 137-151.
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