This paper presents the development and verification of a process-level, coupled geochemical reactions and hydrological transport model. The geochemical reactions included aqueous complexation, adsorption-desorption, ion-exchange, redox, and hydrolysis. The reaction processes were quantified based on thermodynamics and geochemical kinetics. The model was designed to acquire advanced modeling capabilities to deal with the transport of contaminant mixtures controlled by both kinetic and equilibrium reactions and to provide a tool for (i) interpreting and designing scientific investigations, (ii) predicting transport velocities at field sites, and (iii) assessing remediation alternatives. Two example problems with a total of 12 cases were used to verify the model. Example No. 1 was designed to verify the reactive transport of a hypothetically generic geochemical system. Three cases were used to test if the simulations from the coupled model agree with those from the stand-alone model of mixed chemical kinetic and equilibrium when the velocity is set to zero. The other three cases were designed to see if the simulations are valid with the coupled model when the transporting velocity is not zero. Example No 2 was to simulate the reactive transport of an EDTA experimental system. Six cases with a similar purpose as in Example No. 1 were included in Example No. 2.
|Number of pages||9|
|State||Published - 1996|
|Event||Proceedings of the 1996 11th International Conference on Computational Methods in Water Resources, CMWR'96. Part 1 (of 2) - Cancun, Mex|
Duration: 1 Jul 1996 → 1 Jul 1996
|Conference||Proceedings of the 1996 11th International Conference on Computational Methods in Water Resources, CMWR'96. Part 1 (of 2)|
|Period||1/07/96 → 1/07/96|