Chemistry of Iron Sulfides

Rickard, David; Luther, George W.

doi:10.1021/cr0503658

Cited by 1,279 publications

(879 citation statements)

References 339 publications

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“…FeS is a layered iron sulfide mineral that crystallises in the tetragonal structure, and it is considered to be the first iron sulfide phase formed from the reaction of Fe and S in low temperature aqueous environments. 38 Our study provides a mechanistic understanding of CO 2 activation and reduction on low-index mackinawite surfaces. First, we quantify the adsorption of CO 2 on the mackinawite (001), (011), and (111) surfaces and evaluate the electronic properties, including charge transfer.…”

Section: Introductionmentioning

confidence: 88%

Activation and dissociation of CO2 on the (001), (011), and (111) surfaces of mackinawite (FeS): A dispersion-corrected DFT study

Dzade

Roldan

Leeuw

2015

The Journal of Chemical Physics

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Iron sulfide minerals, including mackinawite (FeS), are relevant in origin of life theories, due to their potential catalytic activity towards the reduction and conversion of carbon dioxide (CO 2 ) to organic molecules, which may be applicable to the production of liquid fuels and commodity chemicals. However, the fundamental understanding of CO 2 adsorption, activation, and dissociation on FeS surfaces remains incomplete. Here, we have used density functional theory calculations, corrected for long-range dispersion interactions (DFT-D2), to explore various adsorption sites and configurations for CO 2 on the low-index mackinawite (001), (110), and (111) surfaces. We found that the CO 2 molecule physisorbs weakly on the energetically most stable (001) surface but adsorbs relatively strongly on the (011) and (111) FeS surfaces, preferentially at Fe sites. The adsorption of the CO 2 on the (011) and (111) surfaces is shown to be characterized by significant charge transfer from surface Fe species to the CO 2 molecule, which causes a large structural transformation in the molecule (i.e., forming a negatively charged bent CO 2 −δ species, with weaker C-O confirmed via vibrational frequency analyses). We have also analyzed the pathways for CO 2 reduction to CO and O on the mackinawite (011) and (111) surfaces. CO 2 dissociation is calculated to be slightly endothermic relative to the associatively adsorbed states, with relatively large activation energy barriers of 1.25 eV and 0.72 eV on the (011) and (111)

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Section: Introductionmentioning

confidence: 88%

Activation and dissociation of CO2 on the (001), (011), and (111) surfaces of mackinawite (FeS): A dispersion-corrected DFT study

Dzade

Roldan

Leeuw

2015

The Journal of Chemical Physics

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“…Sulfate reduction linked to carbonate dissolution accounts for significant carbonate losses at modern platform carbonate sediments off Florida and at Tahitian warm-water coral reefs (Ku et al, 1999;Tribble, 1993;Walter et al, 1993;Walter and Burton, 1990). However, if a sufficient pool of reactive iron minerals is present in the sediment, dissolved sulfide reduces ferric iron and precipitates as iron-monosulfides (FeS), intermediate ironsulfide species, and pyrite (Afonso and Stumm, 1992;Berner, 1984;Morse et al, 1992;Pyzik and Sommer, 1981;Rickard and Luther, 2007;Wilkin and Barnes, 1996). The reductive dissolution of iron oxides is a strong proton consuming process.…”

Section: Sulfate Metal and Carbonate Dynamicsmentioning

confidence: 99%

Carbon mineralization and carbonate preservation in modern cold-water coral reef sediments on the Norwegian shelf

et al. 2009

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Abstract. Cold-water coral ecosystems are considered hotspots of biodiversity and biomass production and may be a regionally important contributor to carbonate production. The impact of these ecosystems on biogeochemical processes and carbonate preservation in associated sediments were studied at Røst Reef and Traenadjupet Reef, two modern (post-glacial) cold-water coral reefs on the MidNorwegian shelf. Sulfate and iron reduction as well as carbonate dissolution and precipitation were investigated by combining pore-water geochemical profiles, steady state modeling, as well as solid phase analyses and sulfate reduction rate measurements on gravity cores of up to 3.25 m length. Low extents of sulfate depletion and dissolved inorganic carbon (DIC) production, combined with sulfate reduction rates not exceeding 3 nmol S cm −3 d −1 , suggested that overall anaerobic carbon mineralization in the sediments was low. These data showed that the coral fragment-bearing siliciclastic sediments were effectively decoupled from the productive pelagic ecosystem by the complex reef surface framework. Organic matter being mineralized by sulfate reduction was calculated to consist of 57% carbon bound in CH 2 O groups and 43% carbon in -CH 2 -groups. Methane concentrations were below 1 µM, and failed to support the hypothesis of a linkage between the distribution of coldwater coral reefs and the presence of hydrocarbon seepage. Reductive iron oxide dissolution linked to microbial sulfate reduction buffered the pore-water carbonate system and inhibited acid-driven coral skeleton dissolution. A large pool of reactive iron was available leading to the formation of iron

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“…Differing from other types of scale, both iron and sulfide have multiple redox states and, depending on the formation conditions, they can form precipitates with various compositions and dramatically different properties [16]. The identified scale minerals in petroleum industry include mackinawite (FeS) and pyrrhotite (Fe 1-x S), troilite (FeS), greigite (Fe 3 S 4 ), and iron disulfide pyrite and marcasite (FeS 2 ) [17][18][19].…”

Section: Introductionmentioning

confidence: 99%

Laboratory assessment of tetrakis(hydroxymethyl)phosphonium sulfate as dissolver for scales formed in sour gas wells

Wang¹,

Shen²,

Badairy³

et al. 2015

Int. J. Corros. Scale Inhib.

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Tetrakis(hydroxymethyl)phosphonium sulfate (THPS) is an environmental friendly biocide commonly used in oil fields. It also has been used to control iron sulfide precipitation for water injection and to remove deposits in oil production systems. In this study, THPS was examined as the dissolver for scale deposits formed on downhole tubular of high temperature sour gas wells. These deposits consisted of a wide range of mineral phases and are often dominated with various forms of iron sulfides and iron oxyhydroxides. The THPS based dissolvers were studied at various concentrations, pH values and with different additives. These additives included ammonium chloride, chelating agents and phosphonates. Experimental results indicated that the dissolving power was not proportional to THPS concentration. The maximum dissolution was observed in THPS concentration of 25 to 50%, depending on scale composition. Its dissolving power could be significantly increased with both ammonium chloride and chelating agents. The synergistic effect of ammonium chloride was largely attributed to pH decrease. As a result, the corrosivity of THPS solution to metallurgy was increased with the addition of ammonium chloride. The corrosion rate of mild steel was increased over three times with 4% ammonium chloride added. Contrary to previous reports, phosphonate additives decreased scale dissolution and induced new precipitation. Formation of calcium sulfate precipitates was also observed during dissolution of calcite, which will limit the THPS from scales containing calcium carbonate. This study also revealed the dissolution behavior of different minerals in the THPS solution. Iron oxyhydroxides had the highest dissolution rate, followed by calcite, siderite and pyrrhotite. Pyrite, marcasite and anhydrite were almost insoluble in the tested solutions. Results from this study can be used as guideline for the development and design of THPS based scale dissolvers.

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Chemistry of Iron Sulfides

Cited by 1,279 publications

References 339 publications

Activation and dissociation of CO2 on the (001), (011), and (111) surfaces of mackinawite (FeS): A dispersion-corrected DFT study

Activation and dissociation of CO2 on the (001), (011), and (111) surfaces of mackinawite (FeS): A dispersion-corrected DFT study

Carbon mineralization and carbonate preservation in modern cold-water coral reef sediments on the Norwegian shelf

Laboratory assessment of tetrakis(hydroxymethyl)phosphonium sulfate as dissolver for scales formed in sour gas wells

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