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A Lagrangian Reactive Transport Simulator with Successive Paths and Stationary-States: Concepts, Implementation and Verification

Published online by Cambridge University Press:  21 February 2011

R. B. Knapp
R. B. Knapp*
Affiliation:
L206, Earth Sciences Department, Lawrence Livermore National Laboratory, Livermore, California, U.S.A.94550
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Abstract

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 HC1 - SiO2 system; excellent agreements were achieved. Results have also been compared with published results for a portion of the A12O3 - 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.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 176: Symposium U – Scientific Basis for Nuclear Waste Management XIII , 1989 , 695
Copyright
Copyright © Materials Research Society 1990

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References

REFERENCES

1. Lichtner, P. C., Geochim. Cosmochim. Acfa, 52, 143 (1988).Google Scholar
2. Knapp, R. B., Lawrence Livermore National Laboratory, UCRL-100952 (1988).Google Scholar
3. Wolery, T. J., Lawrence Livermore National Laboratory, UCRL-52658 (1979).Google Scholar