scholarly journals Silver in geological fluids from in situ X-ray absorption spectroscopy and first-principles molecular dynamics

2013 ◽  
Vol 106 ◽  
pp. 501-523 ◽  
Author(s):  
Gleb S. Pokrovski ◽  
Jacques Roux ◽  
Guillaume Ferlat ◽  
Romain Jonchiere ◽  
Ari P. Seitsonen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Absorption Spectroscopy ◽  
First Principles ◽  
X Ray ◽  
X Ray Absorption ◽  
First Principles Molecular Dynamics

Gold Transport in Hydrothermal Chloride-Bearing Fluids: Insights from in Situ X-ray Absorption Spectroscopy and ab Initio Molecular Dynamics

2018 ◽  
Vol 3 (2) ◽  
pp. 240-261 ◽  
Author(s):  
Boris R. Tagirov ◽  
Alexander L. Trigub ◽  
Olga N. Filimonova ◽  
Kristina O. Kvashnina ◽  
Maximilian S. Nickolsky ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Absorption Spectroscopy ◽  
Ab Initio Molecular Dynamics ◽  
X Ray ◽  
X Ray Absorption

Application of In Situ X-ray Absorption Spectroscopy to Study Dilute Chromium Ions in a Molten Chloride Salt

2019 ◽  
Author(s):  
Jisue Moon ◽  
Carter Abney ◽  
Dmitriy Dolzhnikov ◽  
James M. Kurley ◽  
Kevin A. Beyer ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
Local Structure ◽  
Chloride Salt ◽  
X Ray ◽  
Molten Chloride ◽  
Stable Species ◽  
Higher Temperature ◽  
Cr Concentration ◽  
X Ray Absorption

The local structure of dilute CrCl<sub>3</sub> in a molten MgCl<sub>2</sub>:KCl salt was investigated by <i>in situ</i> x-ray absorption spectroscopy (XAS) at temperatures from room temperature to 800<sup>o</sup>C. This constitutes the first experiment where dilute Cr speciation is explored in a molten chloride salt, ostensibly due to the compounding challenges arising from a low Cr concentration in a matrix of heavy absorbers at extreme temperatures. CrCl<sub>3</sub> was confirmed to be the stable species between 200 and 500<sup>o</sup>C, while mobility of metal ions at higher temperature (>700<sup>o</sup>C) prevented confirmation of the local structure.

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