Dissolution mechanisms of water in depolymerized silicate melts: Constraints from 1H and 29Si NMR spectroscopy and ab initio calculations

Xue, Xianyu; Kanzaki, Masami

doi:10.1016/j.gca.2004.08.016

Cited by 141 publications

(114 citation statements)

References 102 publications

(186 reference statements)

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“…Bands I and II should instead arise from stretching (symmetric and asymmetric) of two groups of molecular water with different strength of H-bonding (Whittington et al, 2001 andXue andKanzaki, 2004). In this hypothesis, the ratios between bands V/(IV + III) and II/I should decrease with the increase of strong hydrogen-bond acceptors such as NBOs.…”

Section: Water Speciation Vs O-h Hydrogen Bonding Strengthmentioning

confidence: 98%

“…In alkali-bearing aluminosilicate glasses both hydroxyl and molecular water experience a broad range of hydrogen bonding strength between them and with the glass network (Wu, 1980, Uchino et al, 1991and Xue and Kanzaki, 2004. The ratio between weakly and strongly H-bonded O-H increases with the field strength (or electronegativity) of the network modifiers in the order K-Na-Ca-Mg-Al (Wu, 1980) and it decreases with increasing amounts of NBOs in the glass structure.…”

Section: Water Speciation Vs O-h Hydrogen Bonding Strengthmentioning

confidence: 99%

“…The ratio between weakly and strongly H-bonded O-H increases with the field strength (or electronegativity) of the network modifiers in the order K-Na-Ca-Mg-Al (Wu, 1980) and it decreases with increasing amounts of NBOs in the glass structure. "Free" M-OH groups (i.e., without any bonding to the network) are expected to become important in mafic melts (Xue and Kanzaki, 2004). Increasing H-bonding weakens the O-H bond and in that way decreases the frequency of the O-H stretching vibration.…”

Section: Water Speciation Vs O-h Hydrogen Bonding Strengthmentioning

confidence: 99%

See 2 more Smart Citations

Quantification of water content and speciation in natural silicic glasses (phonolite, dacite, rhyolite) by confocal microRaman spectrometry

Muro

Villemant

Montagnac

et al. 2006

Geochimica et Cosmochimica Acta

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The determination of total water content (H 2 O T : 0.1-10 wt%) and water speciation (H 2 O molecular /OH) in volcanic products by confocal microRaman spectrometry are discussed for alkaline (phonolite) and calcalkaline (dacite and rhyolite) silicic glasses. Shape and spectral distribution of the total water band (H 2 O T ) at 3550 cm −1 show systematic evolution with glass H 2 O T , water speciation and NBO/T. In the studied set of silicic samples, calibrations based on internal normalization of the H 2 O T band to a band related to vibration of aluminosilicate network (TOT) at 490 cm −1 vary with glass peraluminosity. An external calibration procedure using well-characterized glass standards is less composition-dependent and provides excellent linear correlation between total dissolved water content and height or area of the H 2 O T Raman band. Accuracy of deconvolution procedure of the H 2 O T band to quantify water speciation in water-rich and depolymerized glasses depends on the strength of OH hydrogen bonding. System confocal performance, scattering from embedding medium and glass microcrystallinity have a crucial influence on accuracy of Raman analyses of water content in glass-bearing rocks and melt inclusions in crystals.

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Section: Water Speciation Vs O-h Hydrogen Bonding Strengthmentioning

confidence: 98%

Section: Water Speciation Vs O-h Hydrogen Bonding Strengthmentioning

confidence: 99%

Section: Water Speciation Vs O-h Hydrogen Bonding Strengthmentioning

confidence: 99%

See 1 more Smart Citation

Quantification of water content and speciation in natural silicic glasses (phonolite, dacite, rhyolite) by confocal microRaman spectrometry

Muro

Villemant

Montagnac

et al. 2006

Geochimica et Cosmochimica Acta

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“…as well as with other metal cations (Mysen and Virgo 1986;Xue and Kanzaki 2004;Cody et al 2005). In either case, water dissolved in the form of OH groups in silicate melts affects their structure.…”

Section: +mentioning

confidence: 99%

Water-melt interaction in hydrous magmatic systems at high temperature and pressure

Mysen

2014

Prog Earth Planet Sci

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Experimental data on the structure and properties of melts and fluids relevant to water-melt interaction in hydrous magmatic systems in the Earth's interior have been reviewed. Complex relationships between water solubility in melts and their bulk composition [Al/Si-ratio, metal oxide/(Al + Si) and electron properties of metal cations] explain why water solubility in felsic magmas such as those of rhyolite and andesite composition is significantly greater than the water solubility in basalt melts. The silicate solubility in aqueous fluid is also significantly dependent on composition with metal oxide/(Al + Si) and electron properties of the metal cations, the dominant variables. Hydrogen bonding is not important in hydrous fluids and melts at temperatures above 500°C to 550°C and does not, therefore, play a role in hydrous magmatic systems. The properties of hydrous melts and aqueous solutions are governed by how the silicate speciation (Q n species, where n is the number of bridging oxygen in an individual species) varies with bulk composition, silicate composition, temperature, and pressure. The reactions that describe the interactions are similar in melts, fluids, and supercritical fluids. The degree of melt polymerization caused by dissolved water varies with melt composition and total water content. Silicate-and alkali-rich felsic magmatic melts are more sensitive to water content than more mafic magmas. Transport and configurational properties of hydrous magmatic melts can be modeled with the aid of the Q n speciation variations. Liquidus and melting phase relations of hydrous systems also can be described in such terms, as can minor and trace element partition coefficients. Stable isotope fractionation (e.g., D/H) can also be rationalized in this manner. Critical to these latter observations is the high silicate concentration in aqueous fluids. These components can enhance solubility of minor and trace elements by orders of magnitude and change the speciation of H and D complexes so that their fractionation factors change quite significantly. Data from pure silicate-H 2 O systems cannot be employed for these purposes.

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“…At trapping temperatures the very water-rich melt system behaves as a near supercritical or supercritical fluid (see Thomas and Davidson [8] Figure 3 therein). Such behavior is untypical for a silica-gel, although the physicochemical behavior of the gel state at high temperature and pressure is poorly constrained-to this see the discussion and references in Xue and Kanzaki [37] and Mattsson et al [38]. An important demonstration of the melt nature of the contents of the inclusions comes from homogenization and Hydrothermal Diamond Anvil Cell (HDAC) experiments [39].…”

Section: The Significance Of the Gel State In Pegmatite Evolutionmentioning

confidence: 99%

Water- and Boron-Rich Melt Inclusions in Quartz from the Malkhan Pegmatite, Transbaikalia, Russia

2012

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Abstract:In this paper we show that the pegmatite-forming processes responsible for the formation of the Malkhan pegmatites started at magmatic temperatures around 720 °C. The primary melts or supercritical fluids were very water-and boron-rich (maximum values of about 10% (g/g) B 2 O 3 ) and over the temperature interval from 720 to 600 °C formed a pseudobinary solvus, indicated by the coexistence of two types of primary melt inclusions (type-A and type-B) representing a pair of conjugate melts. Due to the high water and boron concentration the pegmatite-forming melts are metastable and can be characterized either as genuine melts or silicate-rich fluids. This statement is underscored by Raman spectroscopic studies. This study suggested that the gel state proposed by some authors cannot represent the main stage of the pegmatite-forming processes in the Malkhan pegmatites, and probably in all others. However there are points in the evolution of the pegmatites where the gel-or gel-like state has left traces in form of real gel inclusions in some mineral in the Malkhan pegmatite, however only in a late, fluid dominated stage.

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Dissolution mechanisms of water in depolymerized silicate melts: Constraints from 1H and 29Si NMR spectroscopy and ab initio calculations

Cited by 141 publications

References 102 publications

Quantification of water content and speciation in natural silicic glasses (phonolite, dacite, rhyolite) by confocal microRaman spectrometry

Quantification of water content and speciation in natural silicic glasses (phonolite, dacite, rhyolite) by confocal microRaman spectrometry

Water-melt interaction in hydrous magmatic systems at high temperature and pressure

Water- and Boron-Rich Melt Inclusions in Quartz from the Malkhan Pegmatite, Transbaikalia, Russia

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