A chemical equilibrium algorithm for highly non-ideal multiphase systems: Free energy minimization

Harvie, Charles E.; Greenberg, Joshua I.; Weare, John H.

doi:10.1016/0016-7037(87)90199-2

Cited by 102 publications

(59 citation statements)

References 11 publications

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“…In the first place, the reaction path method enables a true kinetic formulation of reaction rates for a system in partial chemical equilibrium. Secondly, many of the objections that have been raised against the stoichiometric formulation (e.g., Harvie et al 1987) disappear when this approach is combined with a real time, pseudo-kinetic, description of mineral reactions. It then becomes an easy and automatic process to determine the stable equilibrium mineral assemblage.…”

Section: IImentioning

confidence: 99%

Field Investigation Report for Waste Management Area S-SX Volume 1 & 2 [SEC 1 Thru 6]

Knepp¹

2002

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Section: IImentioning

confidence: 99%

Field Investigation Report for Waste Management Area S-SX Volume 1 & 2 [SEC 1 Thru 6]

Knepp¹

2002

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“…phases, solid-solution phases, adsorbed phases, and gas phases. In the aqueous phase modeling, the excess solution free energy is modeled by using the Pitzer equations (Harvie et al 1987), which are valid to high ionic strengths. Thus, GMIN is applicable to tank waste conditions having high ionic strength.…”

Section: Stepmentioning

confidence: 99%

Waste mixing and diluent selection for the planned retrieval of Hanford Tank 241-SY-102: A preliminary assessment

Onishi¹,

Hudson²

1996

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Portions of this document rrmy be iIlegible in electronic image products. Images are produced from the best available original docmnent. SummaryThis preliminary assessment documents a set of analyses that were performed to determine the potential for Hanford waste Tank 241-SY-102 waste properties to be adversely affected by mixing the current tank contents or by injecting additional diluent into the tank during sludge mobilization. As a part of this effort, the effects of waste heating that will occur as a result of mixer pump operations are also examined. Finally, the predicted transport behavior of the resulting slurries is compared with the waste acceptance criteria for the Cross-Site Transfer System (CSTS). This work is being performed by Pacific Northwest National Laboratory in support of Westinghouse Hanford Company's W-211 Retrieval Project.We applied the equilibrium chemical code, GMIN, to predict potential chemical reactions. We examined the potential effects of mixing the current tank contents (sludge and supernatant liquid) at a range of temperatures and, separately, of adding pure water at a volume ratio of 1:2:2 (s1udge:supernatant 1iquid:water) as an example of further diluting the current tank contents. The main conclusion of the chemical modeling is that mixing the sludge and the supernate (with or without additional water) in Tank 241-SY-102 dissolves all sodium-containing solids (Le., NaN03(s), thenardite, NaF(s), and halite), but does not significantly affect the amorphous Cr(OH)3 and calcite phase distribution. A very small amount of gibbsite [AI(OH)3(s)] might precipitate at 25"C, but a somewhat larger amount of gibbsite is predicted to dissolve at the higher temperatures. Thus gibbsite precipitation might be avoided at moderate temperatures.within the sludge is saturated with respect to many of the solids species in the sludge, but that the supernatant liquid is not in saturation with many of major solids species in sludge. This indicates that a further evaluation of the sludge mixing could prove beneficial. This type of analysis could provide more detail about the potential chemical reactions and associated rheology changes by incorporating spatial distributions and temporal changes of reactions and kinetics using a model that couples the physical distributions and movements with equilibriumkinetic chemical reactions and associated rheology changes.The chemical constituents and phase distributions predicted by the chemical modeling work were also used to predict the transport behavior of the slurries that will result from sludge mobilization in Tank 241-SY-102. Several properties that impact the anticipated waste acceptance criteria for the CSTS were estimated for each of the cases considered. From these estimates it seems clear that the waste slurry that results from sludge mobilization in 241-SY-102 will have a specific gravity less than 1.2, a mixture viscosity less than 30 cP, and a solids volume fraction less than 0.06. Sedimentation data indicate that the"disp1aced solids volume frac...

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“…GMIN is based upon the aqueous thermodynamic model of Pitzer and co-workers and is valid to high ionic strength. Its thermodynamic data base comes from the thermodynamic model of Felmy and Weare (1986) and standard chemical potentials and Pitzer ion-interaction parameters for Na, K, Ca, Mg, CO 2 , H, and H 2 O are taken from Harvie et al (1987). The Pitzer ion-interaction parameters in the GMIN data base for the important aluminate ðAlðOHÞ À 4 Þ species are from Wesolowski (1992) and for monomeric and polymeric silica species from .…”

Section: Thermodynamic Modelingmentioning

confidence: 99%

Colloid-Facilitated Transport of Radionuclides Through The Vadose Zone

Flury¹,

Harsh²,

Lichtner³

et al. 2007

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A chemical equilibrium algorithm for highly non-ideal multiphase systems: Free energy minimization

Cited by 102 publications

References 11 publications

Field Investigation Report for Waste Management Area S-SX Volume 1 & 2 [SEC 1 Thru 6]

Field Investigation Report for Waste Management Area S-SX Volume 1 & 2 [SEC 1 Thru 6]

Waste mixing and diluent selection for the planned retrieval of Hanford Tank 241-SY-102: A preliminary assessment

Colloid-Facilitated Transport of Radionuclides Through The Vadose Zone

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