A geochemical software package which models static, single-path kinetic water-rock interactions, EQ3/6, has been modified to incorporate successive-paths and stationary states under high Peclet number transport conditions in a Lagrangian reference frame. These modifications permit calculation of reactive transport with reasonable computational requirements. Results from the new option in EQ3/6 have been compared with analytical results for the simple HCI - SiO2 system; excellent agreements were achieved. Results have also been compared with published results for a portion of the Al2O3 - HCI - K2O - SiO2 system. The results are in good qualitative and, in some cases, good quantitative agreement. However, the values of some variables differ substantially; these differences can be attributed to use of a different set of Al and Si aqueous species.
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Lichtner, P. C., Geochim. Cosmochim. Acta, 52, 143 (1988).
Knapp, R. B., Lawrence Livermore National Laboratory, UCRL-100952 (1988).
Wolery, T. J., Lawrence Livermore National Laboratory, UCRL-52658 (1979).
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Knapp, R.B. A Lagrangian Reactive Transport Simulator with Successive Paths and Stationary-States: Concepts, Implementation and Verification. MRS Online Proceedings Library 176, 695 (1989). https://doi.org/10.1557/PROC-176-695