A geochemical transport model for redox-controlled movement of mineral fronts in groundwater flow systems: A case of nitrate removal by oxidation of pyrite

Water Resources Research
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Abstract

A one-dimensional prototype geochemical transport model was developed in order to handle simultaneous precipitation-dissolution and oxidation-reduction reactions governed by chemical equilibria. Total aqueous component concentrations are the primary dependent variables, and a sequential iterative approach is used for the calculation. The model was verified by analytical and numerical comparisons and is able to simulate sharp mineral fronts. At a site in Denmark, denitrification has been observed by oxidation of pyrite. Simulation of nitrate movement at this site showed a redox front movement rate of 0.58 m yr−1, which agreed with calculations of others. It appears that the sequential iterative approach is the most practical for extension to multidimensional simulation and for handling large numbers of components and reactions. However, slow convergence may limit the size of redox systems that can be handled.

Additional publication details

Publication type Article
Publication Subtype Journal Article
Title A geochemical transport model for redox-controlled movement of mineral fronts in groundwater flow systems: A case of nitrate removal by oxidation of pyrite
Series title Water Resources Research
DOI 10.1029/92WR01264
Volume 28
Issue 10
Year Published 1992
Language English
Publisher American Geophysical Union
Contributing office(s) Toxic Substances Hydrology Program
Description 15 p.
First page 2829
Last page 2843