scholarly journals Yttrium complexation and hydration in chloride-rich hydrothermal fluids: A combined ab initio molecular dynamics and in situ X-ray absorption spectroscopy study

2020 ◽  
Vol 281 ◽  
pp. 168-189 ◽  
Author(s):  
Qiushi Guan ◽  
Yuan Mei ◽  
Barbara Etschmann ◽  
Denis Testemale ◽  
Marion Louvel ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Absorption Spectroscopy ◽  
Hydrothermal Fluids ◽  
Ab Initio Molecular Dynamics ◽  
Spectroscopy Study ◽  
X Ray ◽  
X Ray Absorption

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

An in situ X-ray absorption spectroscopy study of gold-chloride complexing in hydrothermal fluids

2009 ◽  
Vol 259 (1-2) ◽  
pp. 17-29 ◽  
Author(s):  
Gleb S. Pokrovski ◽  
Boris R. Tagirov ◽  
Jacques Schott ◽  
Elena F. Bazarkina ◽  
Jean-Louis Hazemann ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
Hydrothermal Fluids ◽  
Gold Chloride ◽  
Spectroscopy Study ◽  
X Ray ◽  
X Ray Absorption

scholarly journals Coordination Sphere of Lanthanide Aqua Ions Resolved with Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy

2021 ◽  
Vol 60 (5) ◽  
pp. 3117-3130
Author(s):  
Richard C. Shiery ◽  
John L. Fulton ◽  
Mahalingam Balasubramanian ◽  
Manh-Thuong Nguyen ◽  
Jun-Bo Lu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Absorption Spectroscopy ◽  
Coordination Sphere ◽  
Ab Initio Molecular Dynamics ◽  
X Ray ◽  
X Ray Absorption

scholarly journals In situ X-ray absorption spectroscopy study of zinc and cadmium transport by S-rich fluids

2019 ◽  
Vol 98 ◽  
pp. 04002
Author(s):  
Elena F. Bazarkina ◽  
Olivier Proux ◽  
Eric Lahera ◽  
William Del Net ◽  
Jean-Louis Hazemann
Keyword(s):  
Absorption Spectroscopy ◽  
Theoretical Study ◽  
Hydrothermal Fluids ◽  
Transmission Spectra ◽  
Spectroscopy Study ◽  
X Ray ◽  
Cadmium Transport ◽  
Sulfur Speciation ◽  
X Ray Absorption

This experimental and theoretical study is aimed at better quantifying the transport of Zn and Cd by hydrothermal fluids rich in sulfur by using in-situ X-ray absorption spectroscopy (XAS). We measured simultaneously fluorescence and transmission spectra of dissolved metal in NaHS-H2S, K2S2O3, Na2S2O3, K2S2O3-HCl aqueous solutions at 250-350°C and 600 bar. Here the first experimental results are presented. Possible sulfur speciation models for Zn and Cd are briefly discussed.

Ab Initio Molecular Dynamics of Uranium Incorporated in Goethite (α-FeOOH): Interpretation of X-ray Absorption Spectroscopy of Trace Polyvalent Metals

2016 ◽  
Vol 55 (22) ◽  
pp. 11736-11746 ◽  
Author(s):  
Sebastien Kerisit ◽  
Eric J. Bylaska ◽  
Michael S. Massey ◽  
Martin E. McBriarty ◽  
Eugene S. Ilton
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Absorption Spectroscopy ◽  
Ab Initio Molecular Dynamics ◽  
X Ray ◽  
X Ray Absorption
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