Inorganic species in geologic fluids: Correlations among standard molal thermodynamic properties of aqueous ions and hydroxide complexes

Shock, Everett L.; Sassani, David; Willis, Marc H.; Sverjensky, Dimitri A.

doi:10.1016/s0016-7037(96)00339-0

Cited by 933 publications

(484 citation statements)

References 121 publications

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“…Generally, log K values of minerals obtained directly from solubility measurements were incorporated to the dataset without modification. In a few cases equilibrium constants were taken from the EQ3/6 database but SUPCRT92 (Johnson et al, 1992) and the SLOP.98 modified SUPCRT database (Shock et al, 1997;Plyasunova et al, 2004) was used for computing log K values for other minerals. Attempts were made to maintain as much consistency as possible within the developed dataset as described in detail in following subsections.…”

Section: Methodsmentioning

confidence: 99%

“…LLNL and THERMO-DDEM are both based on the EQ3/6 database, which in turn is originally based on the SUPCRT database. SOLTHERM is to a large degree based on the database of Holland and Powell (1998) and SLOP.98 (Shock et al, 1997;Plyasunova et al, 2004), the modified SUPCRT database (Reed and Palandri, 2006b). Many minerals and species thus have similar properties in different databases while major differences can occur for several minerals (e.g.…”

Section: Introductionmentioning

confidence: 99%

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Development and evaluation of a thermodynamic dataset for phases of interest in CO2 mineral sequestration in basaltic rocks

2012

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Keywords: Thermodynamic dataset CO 2 -waterbasalt interaction Geochemical modeling CO 2 geological storage In situ CO 2 mineral sequestration A B S T R A C T A thermodynamic dataset describing 36 mineral reactions of interest for CO 2 -water-basalt interaction associated with CO 2 mineral sequestration in basaltic formations is presented. Mineral selection for the dataset is based on extensive review of natural analogs of water-basalt interaction at low and elevated CO 2 conditions. Widely used thermodynamic databases did not contain the mineral assemblage needed for successfully simulating the alteration processes observed in nature as important primary and secondary minerals were found to be missing. The EQ3/6 V7.2b database is the primary source for aqueous equilibrium constants in the developed dataset but reactions for four missing Al-hydroxy complexes were added. Recently published thermodynamic data were compiled for most of the minerals considered in this study. Mineral solubility constants obtained directly from measurements were compiled to the dataset without modification but SUPCRT was used for computing solubility constants when such data was not available. In order to verify that the presented dataset can capture alterations observed in nature, simulations of CO 2 -water-basalt interaction were carried out at low and elevated CO 2 conditions and compared to observed basalt alteration in Iceland and Greenland. Overall simulated and observed alteration are in good agreement, both at low and elevated CO 2 conditions, suggesting the dataset to be well suited for simulations of e.g. CO 2 -water-basalt interaction associated with CO 2 mineral sequestration in basalts.

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Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Development and evaluation of a thermodynamic dataset for phases of interest in CO2 mineral sequestration in basaltic rocks

2012

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“…[16] [16] (DG°3 83K [110°C] < À36.49 kJ/mol). [48][49][50][51][52] In addition, a few small powdery electroreduction-generated iron grains are found in the reaction interface (the inset in Figure 14(a)), which suggests that the solid state electroreduction mechanism (Reactions [1] and [2]), i.e., Fe 2 O 3 fi Fe 3 O 4 fi Fe, is likely to present in the electroreduction process. The electroreduction-generated oxygen ion could then react with H 2 O to form OH À , i.e., O 2À + H 2 O fi 2OH À .…”

Section: Influence Of the Electroreduction Time On The Electroredumentioning

confidence: 99%

“…[15] The theoretical decomposition potentials (E°) for Reactions [1] through [3] have been calculated from the reported thermodynamic data. [48][49][50][51][52] …”

Section: Influence Of the Electroreduction Time On The Electroredumentioning

confidence: 99%

“…The standard Gibbs free energy changes (DG°) or the theoretical decomposition potentials (E°) for Reactions [4] through [9] have been calculated based on the reported thermodynamic data. [48][49][50][51][52] More details about the reaction mechanisms of the electrodeposition of iron from Fe 2 O 3 and NaFeO 2 precursors in aqueous NaOH solution can be found in our recent work. [56] Therefore, during the electroreduction process in this experiment, Fe 2 O 3 precursor and the electroreduction-generated Fe 3 O 4 and/or NaFeO 2 intermediates surrounded by aqueous NaOH solution would dissolve in the nearby electrolyte simultaneously, and then redeposit on the preformed iron to form dendritic crystals in the reaction front area immediately (as schematically shown in Figure 14(b)).…”

Section: Solid State Electroreduction Mechanismmentioning

confidence: 99%

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Electroreduction of Iron(III) Oxide Pellets to Iron in Alkaline Media: A Typical Shrinking-Core Reaction Process

Zou

et al. 2015

Metall Mater Trans B

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Low temperature electrochemical reduction of iron(III) oxide to iron in a strongly alkaline solution has been systematically investigated in this article. The facile electrochemical process was carried out in 50 to 70 wt pct aqueous NaOH solution at 383 K (110°C) and 1.7 V. The preformed spherical Fe 2 O 3 pellets with porous structures were used directly as precursors for the electrolytic production of iron. The influences of the experimental parameters on the electroreduction process and the characteristics of the iron products as well as the reaction mechanisms were investigated. The results show that the precursor's pre-sintering process and the concentration of NaOH aqueous electrolyte have significant influences on the electroreduction process. The electroreduction-generated spherical metallic iron layer comprising dendritic iron crystals is first formed on the surface of Fe 2 O 3 pellet precursor and then extends gradually into the pellet's interior along the radial direction. The electroreduction process is confirmed to be a typical shrinking-core reaction process. The direct solid state electroreduction mechanism and the dissolution-electrodeposition mechanism coexist in the electrochemical process. The experimental observations suggest that the dissolution-electrodeposition mechanism appears to be the dominant mechanism under the experimental conditions employed in this study. This facile process may open a new green electricitybased route for the production of dendritic iron crystals from iron(III) oxide in alkaline media.

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The corrosion of alloy 625 (NiCr22Mo9Nb; 2.4856) in high-temperature, high-pressure aqueous solutions of phosphoric acid and oxygen. Corrosion at sub- and supercritical temperatures

Kritzer

Boukis

Dinjus

1998

Materials and Corrosion

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Inorganic species in geologic fluids: Correlations among standard molal thermodynamic properties of aqueous ions and hydroxide complexes

Cited by 933 publications

References 121 publications

Development and evaluation of a thermodynamic dataset for phases of interest in CO2 mineral sequestration in basaltic rocks

Development and evaluation of a thermodynamic dataset for phases of interest in CO2 mineral sequestration in basaltic rocks

Electroreduction of Iron(III) Oxide Pellets to Iron in Alkaline Media: A Typical Shrinking-Core Reaction Process

The corrosion of alloy 625 (NiCr22Mo9Nb; 2.4856) in high-temperature, high-pressure aqueous solutions of phosphoric acid and oxygen. Corrosion at sub- and supercritical temperatures

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