A preliminary investigation of chlorine XANES in silicate glasses

K. A. Evans; J. A. Mavrogenes; H. S. O'Neill; N. S. Keller; L. Y. Jang

doi:10.1029/2008GC002157

A preliminary investigation of chlorine XANES in silicate glasses

K. A. Evans, J. A. Mavrogenes, H. S. O'Neill, N. S. Keller, L. Y. Jang

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Abstract

Chlorine speciation in silicate melts affects volatile exsolution, rheology, and thermodynamic properties of the melt but is poorly known. X-Ray Absorption Near Edge Structure (XANES) spectra have been used to investigate Cl speciation in 26 silicate glasses and to test the hypothesis that Cl in silicate melts is hosted by species that combine Cl and network-modifying cations such as Ca and Mg. Results indicate that Cl in CMAS (CaO-MgO-Al₂O ₃-SiO₂) plus Na₂O, K₂O, or MnO silicate glasses exists as a combination of Ca-Clx and Mg-Clx species or, possibly, as mixed Ca-Mgy-Clx species. The geometry and stoichiometry of the proposed species is unknown, but there are similarities between spectra from Ca-bearing melts and the spectra of hydrated CaCl₂.2H₂O, suggesting that the Ca-Clx species could have a salt-like atomic arrangement and ionic bonding. Further investigations using XANES, alternative spectroscopic techniques, and forward modeling approaches are required to distinguish between these possibilities.

Original language	English
Article number	Q10003
Journal	Geochemistry, Geophysics, Geosystems
Volume	9
Issue number	10
DOIs	https://doi.org/10.1029/2008GC002157
Publication status	Published - Oct 2008

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title = "A preliminary investigation of chlorine XANES in silicate glasses",

abstract = "Chlorine speciation in silicate melts affects volatile exsolution, rheology, and thermodynamic properties of the melt but is poorly known. X-Ray Absorption Near Edge Structure (XANES) spectra have been used to investigate Cl speciation in 26 silicate glasses and to test the hypothesis that Cl in silicate melts is hosted by species that combine Cl and network-modifying cations such as Ca and Mg. Results indicate that Cl in CMAS (CaO-MgO-Al2O 3-SiO2) plus Na2O, K2O, or MnO silicate glasses exists as a combination of Ca-Clx and Mg-Clx species or, possibly, as mixed Ca-Mgy-Clx species. The geometry and stoichiometry of the proposed species is unknown, but there are similarities between spectra from Ca-bearing melts and the spectra of hydrated CaCl2.2H2O, suggesting that the Ca-Clx species could have a salt-like atomic arrangement and ionic bonding. Further investigations using XANES, alternative spectroscopic techniques, and forward modeling approaches are required to distinguish between these possibilities.",

keywords = "Chlorine, Lau, Silicate melt, Speciation, Synthetic, XANES",

author = "Evans, {K. A.} and Mavrogenes, {J. A.} and O'Neill, {H. S.} and Keller, {N. S.} and Jang, {L. Y.}",

year = "2008",

month = oct,

doi = "10.1029/2008GC002157",

language = "English",

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journal = "Geochemistry, Geophysics, Geosystems",

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T1 - A preliminary investigation of chlorine XANES in silicate glasses

AU - Evans, K. A.

AU - Mavrogenes, J. A.

AU - O'Neill, H. S.

AU - Keller, N. S.

AU - Jang, L. Y.

PY - 2008/10

Y1 - 2008/10

N2 - Chlorine speciation in silicate melts affects volatile exsolution, rheology, and thermodynamic properties of the melt but is poorly known. X-Ray Absorption Near Edge Structure (XANES) spectra have been used to investigate Cl speciation in 26 silicate glasses and to test the hypothesis that Cl in silicate melts is hosted by species that combine Cl and network-modifying cations such as Ca and Mg. Results indicate that Cl in CMAS (CaO-MgO-Al2O 3-SiO2) plus Na2O, K2O, or MnO silicate glasses exists as a combination of Ca-Clx and Mg-Clx species or, possibly, as mixed Ca-Mgy-Clx species. The geometry and stoichiometry of the proposed species is unknown, but there are similarities between spectra from Ca-bearing melts and the spectra of hydrated CaCl2.2H2O, suggesting that the Ca-Clx species could have a salt-like atomic arrangement and ionic bonding. Further investigations using XANES, alternative spectroscopic techniques, and forward modeling approaches are required to distinguish between these possibilities.

AB - Chlorine speciation in silicate melts affects volatile exsolution, rheology, and thermodynamic properties of the melt but is poorly known. X-Ray Absorption Near Edge Structure (XANES) spectra have been used to investigate Cl speciation in 26 silicate glasses and to test the hypothesis that Cl in silicate melts is hosted by species that combine Cl and network-modifying cations such as Ca and Mg. Results indicate that Cl in CMAS (CaO-MgO-Al2O 3-SiO2) plus Na2O, K2O, or MnO silicate glasses exists as a combination of Ca-Clx and Mg-Clx species or, possibly, as mixed Ca-Mgy-Clx species. The geometry and stoichiometry of the proposed species is unknown, but there are similarities between spectra from Ca-bearing melts and the spectra of hydrated CaCl2.2H2O, suggesting that the Ca-Clx species could have a salt-like atomic arrangement and ionic bonding. Further investigations using XANES, alternative spectroscopic techniques, and forward modeling approaches are required to distinguish between these possibilities.

KW - Chlorine

KW - Lau

KW - Silicate melt

KW - Speciation

KW - Synthetic

KW - XANES

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U2 - 10.1029/2008GC002157

DO - 10.1029/2008GC002157

M3 - Article

SN - 1525-2027

VL - 9

JO - Geochemistry, Geophysics, Geosystems

JF - Geochemistry, Geophysics, Geosystems

IS - 10

M1 - Q10003

ER -

A preliminary investigation of chlorine XANES in silicate glasses

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