Investigation of a modified sequential iteration approach for solving coupled reactive transport problems

摘要

When contaminants enter the soil or groundwater, they may interact physically, geochemically and biochemically with the native water, microorganisms and solid matrix. A realistic description of a reactive transport regime that includes these processes requires joint consideration of multiple chemical species. Currently there are three common numerical approaches for coupling multispecies reaction and solute transport: the one-step approach, the sequential non-iterative approach (SNIA), and the sequential iterative approach (SIA). A modification of the SNIA method is the Strang-splitting method. In this study, a new modified sequential iteration approach (MSIA) for solving multicomponent reactive transport in steady state groundwater flow is presented. This coupling approach has been applied to two realistic reactive transport problems and its performance compared with the SIA and the Strang-splitting methods. The comparison shows that MSIA consistently converges faster than the other two coupling schemes. For the simulation of nitrogen and related species transport and reaction in a riparian aquifer, the total CPU time required by MSIA is only about 38 percent of the total CPU time required by the SIA, and only 50 percent of the CPU time required by the Strang-splitting method. The test problem results indicate that the SIA has superior accuracy, while the accuracy of MSIA is marginally better than that of the Strang-splitting method. The overall performance of MSIA is considered to be good, especially for simulations in which computational time is a critical factor.