Lagrangian reactive transport simulator with successive paths and stationary-states: Concepts, implementation and verification. Revision 1.

摘要

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 HCl(endash)SiO(sub 2) system; excellent agreements were achieved. Results have also been compared with published results for a portion of the Al(sub 2)O(sub 3)(endash)HCl(endash)K(sub 2)O(endash)SiO(sub 2) 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. 16 refs., 12 figs., 3 tabs.